National Library of Energy BETA

Sample records for band-gap semiconductor oxide

  1. Continuously controlled optical band gap in oxide semiconductor thin films

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Herklotz, Andreas; Rus, Stefania Florina; Ward, Thomas Zac

    2016-02-02

    The optical band gap of the prototypical semiconducting oxide SnO2 is shown to be continuously controlled through single axis lattice expansion of nanometric films induced by low-energy helium implantation. While traditional epitaxy-induced strain results in Poisson driven multidirectional lattice changes shown to only allow discrete increases in bandgap, we find that a downward shift in the band gap can be linearly dictated as a function of out-of-plane lattice expansion. Our experimental observations closely match density functional theory that demonstrates that uniaxial strain provides a fundamentally different effect on the band structure than traditional epitaxy-induced multiaxes strain effects. In conclusion, chargemore » density calculations further support these findings and provide evidence that uniaxial strain can be used to drive orbital hybridization inaccessible with traditional strain engineering techniques.« less

  2. Band-Gap Engineering at a Semiconductor-Crystalline Oxide Interface

    SciTech Connect (OSTI)

    Jahangir-Moghadam, Mohammadreza; Ahmadi-Majlan, Kamyar; Shen, Xuan; Droubay, Timothy; Bowden, Mark; Chrysler, Matthew; Su, Dong; Chambers, Scott A.; Ngai, Joseph H.

    2015-02-09

    The epitaxial growth of crystalline oxides on semiconductors provides a pathway to introduce new functionalities to semiconductor devices. Key to integrating the functionalities of oxides onto semiconductors is controlling the band alignment at interfaces between the two materials. Here we apply principles of band gap engineering traditionally used at heterojunctions between conventional semiconductors to control the band offset between a single crystalline oxide and a semiconductor. Reactive molecular beam epitaxy is used to realize atomically abrupt and structurally coherent interfaces between SrZrxTi1-xO? and Ge, in which the band gap of the former is enhanced with Zr content x. We present structural and electrical characterization of SrZrxTi1-xO?-Ge heterojunctions and demonstrate a type-I band offset can be achieved. These results demonstrate that band gap engineering can be exploited to realize functional semiconductor crystalline oxide heterojunctions.

  3. Band-Gap Engineering at a Semiconductor-Crystalline Oxide Interface

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Jahangir-Moghadam, Mohammadreza; Ahmadi-Majlan, Kamyar; Shen, Xuan; Droubay, Timothy; Bowden, Mark; Chrysler, Matthew; Su, Dong; Chambers, Scott A.; Ngai, Joseph H.

    2015-02-09

    The epitaxial growth of crystalline oxides on semiconductors provides a pathway to introduce new functionalities to semiconductor devices. Key to integrating the functionalities of oxides onto semiconductors is controlling the band alignment at interfaces between the two materials. Here we apply principles of band gap engineering traditionally used at heterojunctions between conventional semiconductors to control the band offset between a single crystalline oxide and a semiconductor. Reactive molecular beam epitaxy is used to realize atomically abrupt and structurally coherent interfaces between SrZrxTi1-xO₃ and Ge, in which the band gap of the former is enhanced with Zr content x. We presentmore » structural and electrical characterization of SrZrxTi1-xO₃-Ge heterojunctions and demonstrate a type-I band offset can be achieved. These results demonstrate that band gap engineering can be exploited to realize functional semiconductor crystalline oxide heterojunctions.« less

  4. Narrow band gap amorphous silicon semiconductors

    DOE Patents [OSTI]

    Madan, A.; Mahan, A.H.

    1985-01-10

    Disclosed is a narrow band gap amorphous silicon semiconductor comprising an alloy of amorphous silicon and a band gap narrowing element selected from the group consisting of Sn, Ge, and Pb, with an electron donor dopant selected from the group consisting of P, As, Sb, Bi and N. The process for producing the narrow band gap amorphous silicon semiconductor comprises the steps of forming an alloy comprising amorphous silicon and at least one of the aforesaid band gap narrowing elements in amount sufficient to narrow the band gap of the silicon semiconductor alloy below that of amorphous silicon, and also utilizing sufficient amounts of the aforesaid electron donor dopant to maintain the amorphous silicon alloy as an n-type semiconductor.

  5. Wide band gap semiconductor templates

    DOE Patents [OSTI]

    Arendt, Paul N.; Stan, Liliana; Jia, Quanxi; DePaula, Raymond F.; Usov, Igor O.

    2010-12-14

    The present invention relates to a thin film structure based on an epitaxial (111)-oriented rare earth-Group IVB oxide on the cubic (001) MgO terminated surface and the ion-beam-assisted deposition ("IBAD") techniques that are amendable to be over coated by semiconductors with hexagonal crystal structures. The IBAD magnesium oxide ("MgO") technology, in conjunction with certain template materials, is used to fabricate the desired thin film array. Similarly, IBAD MgO with appropriate template layers can be used for semiconductors with cubic type crystal structures.

  6. Band gap narrowing in zinc oxide-based semiconductor thin films

    SciTech Connect (OSTI)

    Kumar, Jitendra E-mail: akrsri@gmail.com; Kumar Srivastava, Amit E-mail: akrsri@gmail.com

    2014-04-07

    A simple expression is proposed for the band gap narrowing (or shrinkage) in semiconductors using optical absorption measurements of spin coated 1 at. % Ga-doped ZnO (with additional 0–1.5 at. % zinc species) thin films as ΔE{sub BGN} = Bn{sup 1/3} [1 − (n{sub c}/n){sup 1/3}], where B is the fitting parameter, n is carrier concentration, and n{sub c} is the critical density required for shrinkage onset. Its uniqueness lies in not only describing variation of ΔE{sub BGN} correctly but also allowing deduction of n{sub c} automatically for several M-doped ZnO (M: Ga, Al, In, B, Mo) systems. The physical significance of the term [1 − (n{sub c}/n){sup 1/3}] is discussed in terms of carrier separation.

  7. Wide-band-gap, alkaline-earth-oxide semiconductor and devices utilizing same

    DOE Patents [OSTI]

    Abraham, Marvin M.; Chen, Yok; Kernohan, Robert H.

    1981-01-01

    This invention relates to novel and comparatively inexpensive semiconductor devices utilizing semiconducting alkaline-earth-oxide crystals doped with alkali metal. The semiconducting crystals are produced by a simple and relatively inexpensive process. As a specific example, a high-purity lithium-doped MgO crystal is grown by conventional techniques. The crystal then is heated in an oxygen-containing atmosphere to form many [Li].degree. defects therein, and the resulting defect-rich hot crystal is promptly quenched to render the defects stable at room temperature and temperatures well above the same. Quenching can be effected conveniently by contacting the hot crystal with room-temperature air.

  8. Amorphous copper tungsten oxide with tunable band gaps

    SciTech Connect (OSTI)

    Chen Le; Shet, Sudhakar; Tang Houwen; Wang Heli; Yan Yanfa; Turner, John; Al-Jassim, Mowafak; Ahn, Kwang-soon

    2010-08-15

    We report on the synthesis of amorphous copper tungsten oxide thin films with tunable band gaps. The thin films are synthesized by the magnetron cosputtering method. We find that due to the amorphous nature, the Cu-to-W ratio in the films can be varied without the limit of the solubility (or phase separation) under appropriate conditions. As a result, the band gap and conductivity type of the films can be tuned by controlling the film composition. Unfortunately, the amorphous copper tungsten oxides are not stable in aqueous solution and are not suitable for the application of photoelectrochemical splitting of water. Nonetheless, it provides an alternative approach to search for transition metal oxides with tunable band gaps.

  9. Coloration and oxygen vacancies in wide band gap oxide semiconductors: Absorption at metallic nanoparticles induced by vacancy clustering—A case study on indium oxide

    SciTech Connect (OSTI)

    Albrecht, M. Schewski, R.; Irmscher, K.; Galazka, Z.; Markurt, T.; Naumann, M.; Schulz, T.; Uecker, R.; Fornari, R.; Meuret, S.; Kociak, M.

    2014-02-07

    In this paper, we show by optical and electron microscopy based investigations that vacancies in oxides may cluster and form metallic nanoparticles that induce coloration by extinction of visible light. Optical extinction in this case is caused by generation of localized surface plasmon resonances at metallic particles embedded in the dielectric matrix. Based on Mie's approach, we are able to fit the absorption due to indium nanoparticles in In{sub 2}O{sub 3} to our absorption measurements. The experimentally found particle distribution is in excellent agreement with the one obtained from fitting by Mie theory. Indium particles are formed by precipitation of oxygen vacancies. From basic thermodynamic consideration and assuming theoretically calculated activation energies for vacancy formation and migration, we find that the majority of oxygen vacancies form just below the melting point. Since they are ionized at this temperature they are Coulomb repulsive. Upon cooling, a high supersaturation of oxygen vacancies forms in the crystal that precipitates once the Fermi level crosses the transition energy level from the charged to the neutral charge state. From our considerations we find that the ionization energy of the oxygen vacancy must be higher than 200 meV.

  10. P and n-type microcrystalline semiconductor alloy material including band gap widening elements, devices utilizing same

    DOE Patents [OSTI]

    Guha, Subhendu; Ovshinsky, Stanford R.

    1988-10-04

    An n-type microcrystalline semiconductor alloy material including a band gap widening element; a method of fabricating p-type microcrystalline semiconductor alloy material including a band gap widening element; and electronic and photovoltaic devices incorporating said n-type and p-type materials.

  11. Toward Photochemical Water Splitting Using Band-Gap-Narrowed Semiconductors and Transition-Metal Based Molecular Catalysts

    SciTech Connect (OSTI)

    Muckerman,J.T.; Rodriguez, J.A.; Fujita, E.

    2009-06-07

    We are carrying out coordinated theoretical and experimental studies of toward photochemical water splitting using band-gap-narrowed semiconductors (BGNSCs) with attached multi-electron molecular water oxidation and hydrogen production catalysts. We focus on the coupling between the materials properties and the H{sub 2}O redox chemistry, with an emphasis on attaining a fundamental understanding of the individual elementary steps in the following four processes: (1) Light-harvesting and charge-separation of stable oxide or oxide-derived semiconductors for solar-driven water splitting, including the discovery and characterization of the behavior of such materials at the aqueous interface; (2) The catalysis of the four-electron water oxidation by dinuclear hydroxo transition-metal complexes with quinonoid ligands, and the rational search for improved catalysts; (3) Transfer of the design principles learned from the elucidation of the DuBois-type hydrogenase model catalysts in acetonitrile to the rational design of two-electron hydrogen production catalysts for aqueous solution; (4) Combining these three elements to examine the function of oxidation catalysts on BGNSC photoanode surfaces and hydrogen production catalysts on cathode surfaces at the aqueous interface to understand the challenges to the efficient coupling of the materials functions.

  12. Method of fabricating n-type and p-type microcrystalline semiconductor alloy material including band gap widening elements

    DOE Patents [OSTI]

    Guha, Subhendu; Ovshinsky, Stanford R.

    1990-02-02

    A method of fabricating doped microcrystalline semiconductor alloy material which includes a band gap widening element through a glow discharge deposition process by subjecting a precursor mixture which includes a diluent gas to an a.c. glow discharge in the absence of a magnetic field of sufficient strength to induce electron cyclotron resonance.

  13. Band gap tuning in transition metal oxides by site-specific substitution

    DOE Patents [OSTI]

    Lee, Ho Nyung; Chisholm, Jr., Matthew F; Jellison, Jr., Gerald Earle; Singh, David J; Choi, Woo Seok

    2013-12-24

    A transition metal oxide insulator composition having a tuned band gap includes a transition metal oxide having a perovskite or a perovskite-like crystalline structure. The transition metal oxide includes at least one first element selected form the group of Bi, Ca, Ba, Sr, Li, Na, Mg, K, Pb, and Pr; and at least one second element selected from the group of Ti, Al, V, Cr, Mn, Fe, Co, Ni, Cu, Zr, Nb, Mo, Ru, Rh, Hf, Ta, W, Re, Os, Ir, and Pt. At least one correlated insulator is integrated into the crystalline structure, including REMO.sub.3, wherein RE is at least one Rare Earth element, and wherein M is at least one element selected from the group of Co, V, Cr, Ni, Mn, and Fe. The composition is characterized by a band gap of less of 4.5 eV.

  14. Inter-band optoelectronic properties in quantum dot structure of low band gap III-V semiconductors

    SciTech Connect (OSTI)

    Dey, Anup; Maiti, Biswajit; Chanda, Debasree

    2014-04-14

    A generalized theory is developed to study inter-band optical absorption coefficient (IOAC) and material gain (MG) in quantum dot structures of narrow gap III-V compound semiconductor considering the wave-vector (k{sup ?}) dependence of the optical transition matrix element. The band structures of these low band gap semiconducting materials with sufficiently separated split-off valance band are frequently described by the three energy band model of Kane. This has been adopted for analysis of the IOAC and MG taking InAs, InSb, Hg{sub 1?x}Cd{sub x}Te, and In{sub 1?x}Ga{sub x}As{sub y}P{sub 1?y} lattice matched to InP, as example of IIIV compound semiconductors, having varied split-off energy band compared to their bulk band gap energy. It has been found that magnitude of the IOAC for quantum dots increases with increasing incident photon energy and the lines of absorption are more closely spaced in the three band model of Kane than those with parabolic energy band approximations reflecting the direct the influence of energy band parameters. The results show a significant deviation to the MG spectrum of narrow-gap materials having band nonparabolicity compared to the parabolic band model approximations. The results reflect the important role of valence band split-off energies in these narrow gap semiconductors.

  15. Nonlinear optical response of semiconductor-nanocrystals-embedded photonic band gap structure

    SciTech Connect (OSTI)

    Liao, Chen; Zhang, Huichao; Tang, Luping; Zhou, Zhiqiang; Lv, Changgui; Cui, Yiping; Zhang, Jiayu

    2014-04-28

    Colloidal CdSe/ZnS core/shell nanocrystals (NCs), which were dispersed in SiO{sub 2} sol, were utilized to fabricate a SiO{sub 2}:NCs/TiO{sub 2} all-dielectric photonic band gap (PBG) structure. The third-order nonlinear refractive index (n{sub 2}) of the PBG structure was nearly triple of that of the SiO{sub 2}:NCs film due to the local field enhancement in the PBG structure. The photoinduced change in refractive index (Δn) could shift the PBG band edge, so the PBG structure would show significant transmission modification, whose transmission change was ∼17 folds of that of the SiO{sub 2}:NCs film. Under excitation of a 30 GW/cm{sup 2} femtosecond laser beam, a transmission decrease of 80% was realized.

  16. A Monte Carlo simulation for bipolar resistive memory switching in large band-gap oxides

    SciTech Connect (OSTI)

    Hur, Ji-Hyun E-mail: jeonsh@korea.ac.kr; Lee, Dongsoo; Jeon, Sanghun E-mail: jeonsh@korea.ac.kr

    2015-11-16

    A model that describes bilayered bipolar resistive random access memory (BL-ReRAM) switching in oxide with a large band gap is presented. It is shown that, owing to the large energy barrier between the electrode and thin oxide layer, the electronic conduction is dominated by trap-assisted tunneling. The model is composed of an atomic oxygen vacancy migration model and an electronic tunneling conduction model. We also show experimentally observed three-resistance-level switching in Ru/ZrO{sub 2}/TaO{sub x} BL-ReRAM that can be explained by the two types of traps, i.e., shallow and deep traps in ZrO{sub 2}.

  17. Conductivity and optical band gaps of polyethylene oxide doped with Li{sub 2}SO{sub 4} salt

    SciTech Connect (OSTI)

    Chapi, Sharanappa Raghu, S. Subramanya, K. Archana, K. Mini, V. Devendrappa, H.

    2014-04-24

    The conductivity and optical properties of Li{sub 2}SO{sub 4} doped polyethylene oxide (PEO) films were studied. The polymer electrolyte films are prepared using solution casting technique. The material phase change was confirmed by X-ray diffraction (XRD) technique. Optical absorption study was conducted using UV- Vis. Spectroscopy in the wavelength range 190–1100nm on pure and doped PEO films. The direct and indirect optical band gaps were found decreased from 5.81–4.51eV and 4.84–3.43eV respectively with increasing the Li{sub 2}SO{sub 4}. The conductivity found to increases with increasing the dopant concentration due to strong hopping mechanism at room temperature.

  18. Near-edge band structures and band gaps of Cu-based semiconductors predicted by the modified Becke-Johnson potential plus an on-site Coulomb U

    SciTech Connect (OSTI)

    Zhang, Yubo; Zhang, Jiawei; Wang, Youwei; Gao, Weiwei; Abtew, Tesfaye A.; Zhang, Peihong E-mail: wqzhang@mail.sic.ac.cn; Beijing Computational Science Research Center, Beijing 100084 ; Zhang, Wenqing E-mail: wqzhang@mail.sic.ac.cn; School of Chemistry and Chemical Engineering and Sate Key Laboratory of Coordination Chemistry, Nanjing University, Jiangsu 210093

    2013-11-14

    Diamond-like Cu-based multinary semiconductors are a rich family of materials that hold promise in a wide range of applications. Unfortunately, accurate theoretical understanding of the electronic properties of these materials is hindered by the involvement of Cu d electrons. Density functional theory (DFT) based calculations using the local density approximation or generalized gradient approximation often give qualitative wrong electronic properties of these materials, especially for narrow-gap systems. The modified Becke-Johnson (mBJ) method has been shown to be a promising alternative to more elaborate theory such as the GW approximation for fast materials screening and predictions. However, straightforward applications of the mBJ method to these materials still encounter significant difficulties because of the insufficient treatment of the localized d electrons. We show that combining the promise of mBJ potential and the spirit of the well-established DFT + U method leads to a much improved description of the electronic structures, including the most challenging narrow-gap systems. A survey of the band gaps of about 20 Cu-based semiconductors calculated using the mBJ + U method shows that the results agree with reliable values to within 0.2 eV.

  19. Substrate-Induced Band-Gap Opening in Epitaxial Graphene

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Substrate-Induced Band-Gap Opening in Epitaxial Graphene Print Prospective challengers to silicon, the long-reigning king of semiconductors for computer chips and other electronic...

  20. Fabrication of photonic band gap materials

    DOE Patents [OSTI]

    Constant, Kristen; Subramania, Ganapathi S.; Biswas, Rana; Ho, Kai-Ming

    2002-01-15

    A method for forming a periodic dielectric structure exhibiting photonic band gap effects includes forming a slurry of a nano-crystalline ceramic dielectric or semiconductor material and monodisperse polymer microspheres, depositing a film of the slurry on a substrate, drying the film, and calcining the film to remove the polymer microspheres therefrom. The film may be cold-pressed after drying and prior to calcining. The ceramic dielectric or semiconductor material may be titania, and the polymer microspheres may be polystyrene microspheres.

  1. Band gap narrowing in zinc oxide-based semiconductor thin films...

    Office of Scientific and Technical Information (OSTI)

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  2. Substrate-Induced Band-Gap Opening in Epitaxial Graphene

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Substrate-Induced Band-Gap Opening in Epitaxial Graphene Substrate-Induced Band-Gap Opening in Epitaxial Graphene Print Wednesday, 26 March 2008 00:00 Prospective challengers to silicon, the long-reigning king of semiconductors for computer chips and other electronic devices, have to overcome silicon's superb collection of materials properties as well as sophisticated fabrication technologies refined by six decades of effort by materials scientists and engineers. Graphene, one of the latest

  3. Method for Creating Photonic Band Gap Materials - Energy Innovation Portal

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Method for Creating Photonic Band Gap Materials Ames Laboratory Contact AMES About This Technology Technology Marketing Summary Innovative microstructures that can direct light in a manner similar to the way semiconductors can influence electrons can be produced by creating what is termed a photonic band gap. These microstructures have the potential to change the way optoelectronic devices, such as photodiodes, LEDs, and integrated optical circuit elements, are designed and used. Ames Laboratory

  4. Photonic band gap structure simulator

    DOE Patents [OSTI]

    Chen, Chiping; Shapiro, Michael A.; Smirnova, Evgenya I.; Temkin, Richard J.; Sirigiri, Jagadishwar R.

    2006-10-03

    A system and method for designing photonic band gap structures. The system and method provide a user with the capability to produce a model of a two-dimensional array of conductors corresponding to a unit cell. The model involves a linear equation. Boundary conditions representative of conditions at the boundary of the unit cell are applied to a solution of the Helmholtz equation defined for the unit cell. The linear equation can be approximated by a Hermitian matrix. An eigenvalue of the Helmholtz equation is calculated. One computation approach involves calculating finite differences. The model can include a symmetry element, such as a center of inversion, a rotation axis, and a mirror plane. A graphical user interface is provided for the user's convenience. A display is provided to display to a user the calculated eigenvalue, corresponding to a photonic energy level in the Brilloin zone of the unit cell.

  5. Band gap engineering strategy via polarization rotation in perovskite ferroelectrics

    SciTech Connect (OSTI)

    Wang, Fenggong Grinberg, Ilya; Rappe, Andrew M.

    2014-04-14

    We propose a strategy to engineer the band gaps of perovskite oxide ferroelectrics, supported by first principles calculations. We find that the band gaps of perovskites can be substantially reduced by as much as 1.2 eV through local rhombohedral-to-tetragonal structural transition. Furthermore, the strong polarization of the rhombohedral perovskite is largely preserved by its tetragonal counterpart. The B-cation off-center displacements and the resulting enhancement of the antibonding character in the conduction band give rise to the wider band gaps of the rhombohedral perovskites. The correlation between the structure, polarization orientation, and electronic structure lays a good foundation for understanding the physics of more complex perovskite solid solutions and provides a route for the design of photovoltaic perovskite ferroelectrics.

  6. Substrate-Induced Band-Gap Opening in Epitaxial Graphene

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Substrate-Induced Band-Gap Opening in Epitaxial Graphene Print Prospective challengers to silicon, the long-reigning king of semiconductors for computer chips and other electronic devices, have to overcome silicon's superb collection of materials properties as well as sophisticated fabrication technologies refined by six decades of effort by materials scientists and engineers. Graphene, one of the latest contenders, has a rather impressive list of features of its own but has lacked a key

  7. Substrate-Induced Band-Gap Opening in Epitaxial Graphene

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Substrate-Induced Band-Gap Opening in Epitaxial Graphene Print Prospective challengers to silicon, the long-reigning king of semiconductors for computer chips and other electronic devices, have to overcome silicon's superb collection of materials properties as well as sophisticated fabrication technologies refined by six decades of effort by materials scientists and engineers. Graphene, one of the latest contenders, has a rather impressive list of features of its own but has lacked a key

  8. Substrate-Induced Band-Gap Opening in Epitaxial Graphene

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Substrate-Induced Band-Gap Opening in Epitaxial Graphene Print Prospective challengers to silicon, the long-reigning king of semiconductors for computer chips and other electronic devices, have to overcome silicon's superb collection of materials properties as well as sophisticated fabrication technologies refined by six decades of effort by materials scientists and engineers. Graphene, one of the latest contenders, has a rather impressive list of features of its own but has lacked a key

  9. Substrate-Induced Band-Gap Opening in Epitaxial Graphene

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Substrate-Induced Band-Gap Opening in Epitaxial Graphene Print Prospective challengers to silicon, the long-reigning king of semiconductors for computer chips and other electronic devices, have to overcome silicon's superb collection of materials properties as well as sophisticated fabrication technologies refined by six decades of effort by materials scientists and engineers. Graphene, one of the latest contenders, has a rather impressive list of features of its own but has lacked a key

  10. Substrate-Induced Band-Gap Opening in Epitaxial Graphene

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Substrate-Induced Band-Gap Opening in Epitaxial Graphene Print Prospective challengers to silicon, the long-reigning king of semiconductors for computer chips and other electronic devices, have to overcome silicon's superb collection of materials properties as well as sophisticated fabrication technologies refined by six decades of effort by materials scientists and engineers. Graphene, one of the latest contenders, has a rather impressive list of features of its own but has lacked a key

  11. Voltage-Matched, Monolithic, Multi-Band-Gap Devices

    DOE Patents [OSTI]

    Wanlass, M. W.; Mascarenhas, A.

    2006-08-22

    Monolithic, tandem, photonic cells include at least a first semiconductor layer and a second semiconductor layer, wherein each semiconductor layer includes an n-type region, a p-type region, and a given band-gap energy. Formed within each semiconductor layer is a string of electrically connected photonic sub-cells. By carefully selecting the numbers of photonic sub-cells in the first and second layer photonic sub-cell string(s), and by carefully selecting the manner in which the sub-cells in a first and second layer photonic sub-cell string(s) are electrically connected, each of the first and second layer sub-cell strings may be made to achieve one or more substantially identical electrical characteristics.

  12. Voltage-matched, monolithic, multi-band-gap devices

    DOE Patents [OSTI]

    Wanlass, Mark W.; Mascarenhas, Angelo

    2006-08-22

    Monolithic, tandem, photonic cells include at least a first semiconductor layer and a second semiconductor layer, wherein each semiconductor layer includes an n-type region, a p-type region, and a given band-gap energy. Formed within each semiconductor layer is a sting of electrically connected photonic sub-cells. By carefully selecting the numbers of photonic sub-cells in the first and second layer photonic sub-cell string(s), and by carefully selecting the manner in which the sub-cells in a first and second layer photonic sub-cell string(s) are electrically connected, each of the first and second layer sub-cell strings may be made to achieve one or more substantially identical electrical characteristics.

  13. Thermophotovoltaic conversion using selective infrared line emitters and large band gap photovoltaic devices

    DOE Patents [OSTI]

    Brandhorst, Jr., Henry W.; Chen, Zheng

    2000-01-01

    Efficient thermophotovoltaic conversion can be performed using photovoltaic devices with a band gap in the 0.75-1.4 electron volt range, and selective infrared emitters chosen from among the rare earth oxides which are thermally stimulated to emit infrared radiation whose energy very largely corresponds to the aforementioned band gap. It is possible to use thermovoltaic devices operating at relatively high temperatures, up to about 300.degree. C., without seriously impairing the efficiency of energy conversion.

  14. Band-gap tailoring of ZnO by means of heavy Al doping

    SciTech Connect (OSTI)

    Sernelius, B.E.; Berggren, K.; Jin, Z.; Hamberg, I.; Granqvist, C.G.

    1988-06-15

    Films of ZnO:Al were produced by weakly reactive dual-target magnetron sputtering. Optical band gaps, evaluated from spectrophotometric data, were widened in proportion to the Al doping. The widening could be quantitatively reconciled with an effective-mass model for n-doped semiconductors, provided the polar character of ZnO was accounted for.

  15. Significant Reduction in NiO Band Gap upon Formation of LixNi1?xO Alloys: Applications to Solar Energy Conversion

    SciTech Connect (OSTI)

    Alidoust, Nima; Toroker, Maytal; Keith, John A.; Carter, Emily A.

    2014-01-01

    Long-term sustainable solar energy conversion relies on identifying economical and versatile semiconductor materials with appropriate band structures for photovoltaic and photocatalytic applications (e.g., band gaps of ?1.52.0 eV). Nickel oxide (NiO) is an inexpensive yet highly promising candidate. Its charge-transfer character may lead to longer carrier lifetimes needed for higher efficiencies, and its conduction band edge is suitable for driving hydrogen evolution via water-splitting. However, NiOs large band gap (?4 eV) severely limits its use in practical applications. Our first-principles quantum mechanics calculations show band gaps dramatically decrease to ?2.0 eV when NiO is alloyed with Li2O. We show that LixNi1?xO alloys (with x=0.125 and 0.25) are p-type semiconductors, contain states with no impurity levels in the gap and maintain NiOs desirable charge-transfer character. Lastly, we show that the alloys have potential for photoelectrochemical applications, with band edges well-placed for photocatalytic hydrogen production and CO2 reduction, as well as in tandem dye-sensitized solar cells as a photocathode.

  16. Metallic photonic band-gap materials

    SciTech Connect (OSTI)

    Sigalas, M.M.; Chan, C.T.; Ho, K.M.; Soukoulis, C.M.

    1995-10-15

    We calculate the transmission and absorption of electromagnetic waves propagating in two-dimensional (2D) and 3D periodic metallic photonic band-gap (PBG) structures. For 2D systems, there is substantial difference between the {ital s}- and {ital p}-polarized waves. The {ital p}-polarized waves exhibit behavior similar to the dielectric PBG`s. But, the {ital s}-polarized waves have a cutoff frequency below which there are no propagating modes. For 3D systems, the results are qualitatively the same for both polarizations but there are important differences related to the topology of the structure. For 3D structures with isolated metallic scatterers (cermet topology), the behavior is similar to that of the dielectric PBG`s, while for 3D structures with the metal forming a continuous network (network topology), there is a cutoff frequency below which there are no propagating modes. The systems with the network topology may have some interesting applications for frequencies less than about 1 THz where the absorption can be neglected. We also study the role of the defects in the metallic structures.

  17. Fabrication of Ceramic Layer-by-Layer Infrared Wavelength Photonic Band Gap Crystals

    SciTech Connect (OSTI)

    Henry Hao-Chuan Kang

    2004-12-19

    Photonic band gap (PBG) crystals, also known as photonic crystals, are periodic dielectric structures which form a photonic band gap that prohibit the propagation of electromagnetic (EM) waves of certain frequencies at any incident angles. Photonic crystals have several potential applications including zero-threshold semiconductor lasers, the inhibition of spontaneous emission, dielectric mirrors, and wavelength filters. If defect states are introduced in the crystals, light can be guided from one location to another or even a sharp bending of light in micron scale can be achieved. This generates the potential for optical waveguide and optical circuits, which will contribute to the improvement in the fiber-optic communications and the development of high-speed computers.

  18. Special purpose modes in photonic band gap fibers

    DOE Patents [OSTI]

    Spencer, James; Noble, Robert; Campbell, Sara

    2013-04-02

    Photonic band gap fibers are described having one or more defects suitable for the acceleration of electrons or other charged particles. Methods and devices are described for exciting special purpose modes in the defects including laser coupling schemes as well as various fiber designs and components for facilitating excitation of desired modes. Results are also presented showing effects on modes due to modes in other defects within the fiber and due to the proximity of defects to the fiber edge. Techniques and devices are described for controlling electrons within the defect(s). Various applications for electrons or other energetic charged particles produced by such photonic band gap fibers are also described.

  19. First-principles study of direct and narrow band gap semiconducting β -CuGaO2

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Nguyen, Manh Cuong; Zhao, Xin; Wang, Cai-Zhuang; Ho, Kai-Ming

    2015-04-16

    Semiconducting oxides have attracted much attention due to their great stability in air or water and the abundance of oxygen. Recent success in synthesizing a metastable phase of CuGaO2 with direct narrow band gap opens up new applications of semiconducting oxides as absorber layer for photovoltaics. Using first-principles density functional theory calculations, we investigate the thermodynamic and mechanical stabilities as well as the structural and electronic properties of the β-CuGaO2 phase. Our calculations show that the β-CuGaO2 structure is dynamically and mechanically stable. The energy band gap is confirmed to be direct at the Γ point of Brillouin zone. Inmore » conclusion, the optical absorption occurs right at the band gap edge and the density of states near the valance band maximum is large, inducing an intense absorption of light as observed in experiment.« less

  20. Method of physical vapor deposition of metal oxides on semiconductors

    DOE Patents [OSTI]

    Norton, David P.

    2001-01-01

    A process for growing a metal oxide thin film upon a semiconductor surface with a physical vapor deposition technique in a high-vacuum environment and a structure formed with the process involves the steps of heating the semiconductor surface and introducing hydrogen gas into the high-vacuum environment to develop conditions at the semiconductor surface which are favorable for growing the desired metal oxide upon the semiconductor surface yet is unfavorable for the formation of any native oxides upon the semiconductor. More specifically, the temperature of the semiconductor surface and the ratio of hydrogen partial pressure to water pressure within the vacuum environment are high enough to render the formation of native oxides on the semiconductor surface thermodynamically unstable yet are not so high that the formation of the desired metal oxide on the semiconductor surface is thermodynamically unstable. Having established these conditions, constituent atoms of the metal oxide to be deposited upon the semiconductor surface are directed toward the surface of the semiconductor by a physical vapor deposition technique so that the atoms come to rest upon the semiconductor surface as a thin film of metal oxide with no native oxide at the semiconductor surface/thin film interface. An example of a structure formed by this method includes an epitaxial thin film of (001)-oriented CeO.sub.2 overlying a substrate of (001) Ge.

  1. Multi-junction, monolithic solar cell using low-band-gap materials lattice matched to GaAs or Ge

    DOE Patents [OSTI]

    Olson, Jerry M.; Kurtz, Sarah R.; Friedman, Daniel J.

    2001-01-01

    A multi-junction, monolithic, photovoltaic solar cell device is provided for converting solar radiation to photocurrent and photovoltage with improved efficiency. The solar cell device comprises a plurality of semiconductor cells, i.e., active p/n junctions, connected in tandem and deposited on a substrate fabricated from GaAs or Ge. To increase efficiency, each semiconductor cell is fabricated from a crystalline material with a lattice constant substantially equivalent to the lattice constant of the substrate material. Additionally, the semiconductor cells are selected with appropriate band gaps to efficiently create photovoltage from a larger portion of the solar spectrum. In this regard, one semiconductor cell in each embodiment of the solar cell device has a band gap between that of Ge and GaAs. To achieve desired band gaps and lattice constants, the semiconductor cells may be fabricated from a number of materials including Ge, GaInP, GaAs, GaInAsP, GaInAsN, GaAsGe, BGaInAs, (GaAs)Ge, CuInSSe, CuAsSSe, and GaInAsNP. To further increase efficiency, the thickness of each semiconductor cell is controlled to match the photocurrent generated in each cell. To facilitate photocurrent flow, a plurality of tunnel junctions of low-resistivity material are included between each adjacent semiconductor cell. The conductivity or direction of photocurrent in the solar cell device may be selected by controlling the specific p-type or n-type characteristics for each active junction.

  2. Microbially-mediated method for synthesis of non-oxide semiconductor...

    Office of Scientific and Technical Information (OSTI)

    Microbially-mediated method for synthesis of non-oxide semiconductor nanoparticles Title: Microbially-mediated method for synthesis of non-oxide semiconductor nanoparticles The ...

  3. Metal Oxide Semiconductor Nanoparticles Open the Door to New Medical

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Innovations | Argonne National Laboratory Metal Oxide Semiconductor Nanoparticles Open the Door to New Medical Innovations Technology available for licensing: novel nanometer-sized metal oxide semiconductors that allow targeting, initiating and control of in vitro and in vivo chemical reactions in biological molecules, such as DNA, proteins, and antibodies. Allows for targeting, initiation and control of in vitro and in vivo chemical reactions in biological molecules Commercial applications

  4. Substrate-Induced Band-Gap Opening in Epitaxial Graphene

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Wednesday, 26 March 2008 00:00 Prospective challengers to silicon, the long-reigning king of semiconductors for computer chips and other electronic devices, have to overcome...

  5. Substrate-Induced Band-Gap Opening in Epitaxial Graphene

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    in Epitaxial Graphene Print Prospective challengers to silicon, the long-reigning king of semiconductors for computer chips and other electronic devices, have to overcome...

  6. Single-junction solar cells with the optimum band gap for terrestrial concentrator applications

    DOE Patents [OSTI]

    Wanlass, Mark W.

    1994-01-01

    A single-junction solar cell having the ideal band gap for terrestrial concentrator applications. Computer modeling studies of single-junction solar cells have shown that the presence of absorption bands in the direct spectrum has the effect of "pinning" the optimum band gap for a wide range of operating conditions at a value of 1.14.+-.0.02 eV. Efficiencies exceeding 30% may be possible at high concentration ratios for devices with the ideal band gap.

  7. Epitaxial Electronic Oxides on Semiconductors Using Pulsed-Laser Deposition

    SciTech Connect (OSTI)

    Norton, D.P.; Budai, J.D.; Chisholm, M.F.

    1999-12-01

    We describe the growth and properties of epitaxial (OO1) CeO{sub 2} on a (001) Ge surface using a hydrogen-assisted pulsed-laser deposition method. Hydrogen gas is introduced during film growth to eliminate the presence of the GeOs from the semiconductor surface during the initial nucleation of the metal oxide film. The hydrogen partial pressure and substrate temperature are selected to be sufficiently high such that the germanium native oxides are thermodynamically unstable. The Gibbs free energy of CeO{sub 2} is larger in magnitude than that of the Ge native oxides, making it more favorable for the metal oxide to reside at the interface in comparison to the native Ge oxides. By satisfying these criteria. the metal oxide/semiconductor interface is shown to be atomically abrupt with no native oxide present. Preliminary structural and electrical properties are reported.

  8. Anisotropy-based crystalline oxide-on-semiconductor material

    DOE Patents [OSTI]

    McKee, Rodney Allen; Walker, Frederick Joseph

    2000-01-01

    A semiconductor structure and device for use in a semiconductor application utilizes a substrate of semiconductor-based material, such as silicon, and a thin film of a crystalline oxide whose unit cells are capable of exhibiting anisotropic behavior overlying the substrate surface. Within the structure, the unit cells of the crystalline oxide are exposed to an in-plane stain which influences the geometric shape of the unit cells and thereby arranges a directional-dependent quality of the unit cells in a predisposed orientation relative to the substrate. This predisposition of the directional-dependent quality of the unit cells enables the device to take beneficial advantage of characteristics of the structure during operation. For example, in the instance in which the crystalline oxide of the structure is a perovskite, a spinel or an oxide of similarly-related cubic structure, the structure can, within an appropriate semiconductor device, exhibit ferroelectric, piezoelectric, pyroelectric, electro-optic, ferromagnetic, antiferromagnetic, magneto-optic or large dielectric properties that synergistically couple to the underlying semiconductor substrate.

  9. Systematic approach for simultaneously correcting the band-gap...

    Office of Scientific and Technical Information (OSTI)

    simultaneously for a set of common cation binary semiconductors, such as III-V compounds, (Ga or In)X with X N,P,As,Sb, and II-VI compounds, (Zn or Cd)X, with X O,S,Se,Te. ...

  10. High quality HfO{sub 2}/p-GaSb(001) metal-oxide-semiconductor capacitors with 0.8?nm equivalent oxide thickness

    SciTech Connect (OSTI)

    Barth, Michael; Datta, Suman; Bruce Rayner, G.; McDonnell, Stephen; Wallace, Robert M.; Bennett, Brian R.; Engel-Herbert, Roman

    2014-12-01

    We investigate in-situ cleaning of GaSb surfaces and its effect on the electrical performance of p-type GaSb metal-oxide-semiconductor capacitor (MOSCAP) using a remote hydrogen plasma. Ultrathin HfO{sub 2} films grown by atomic layer deposition were used as a high permittivity gate dielectric. Compared to conventional ex-situ chemical cleaning methods, the in-situ GaSb surface treatment resulted in a drastic improvement in the impedance characteristics of the MOSCAPs, directly evidencing a much lower interface trap density and enhanced Fermi level movement efficiency. We demonstrate that by using a combination of ex-situ and in-situ surface cleaning steps, aggressively scaled HfO{sub 2}/p-GaSb MOSCAP structures with a low equivalent oxide thickness of 0.8?nm and efficient gate modulation of the surface potential are achieved, allowing to push the Fermi level far away from the valence band edge high up into the band gap of GaSb.

  11. Ultraviolet GaN photodetectors on Si via oxide buffer heterostructures with integrated short period oxide-based distributed Bragg reflectors and leakage suppressing metal-oxide-semiconductor contacts

    SciTech Connect (OSTI)

    Szyszka, A. E-mail: adam.szyszka@pwr.wroc.pl; Haeberlen, M.; Storck, P.; Thapa, S. B.; Schroeder, T.

    2014-08-28

    Based on a novel double step oxide buffer heterostructure approach for GaN integration on Si, we present an optimized Metal-Semiconductor-Metal (MSM)-based Ultraviolet (UV) GaN photodetector system with integrated short-period (oxide/Si) Distributed Bragg Reflector (DBR) and leakage suppressing Metal-Oxide-Semiconductor (MOS) electrode contacts. In terms of structural properties, it is demonstrated by in-situ reflection high energy electron diffraction and transmission electron microscopy-energy dispersive x-ray studies that the DBR heterostructure layers grow with high thickness homogeneity and sharp interface structures sufficient for UV applications; only minor Si diffusion into the Y{sub 2}O{sub 3} films is detected under the applied thermal growth budget. As revealed by comparative high resolution x-ray diffraction studies on GaN/oxide buffer/Si systems with and without DBR systems, the final GaN layer structure quality is not significantly influenced by the growth of the integrated DBR heterostructure. In terms of optoelectronic properties, it is demonstrated thatwith respect to the basic GaN/oxide/Si system without DBRthe insertion of (a) the DBR heterostructures and (b) dark current suppressing MOS contacts enhances the photoresponsivity below the GaN band-gap related UV cut-off energy by almost up to two orders of magnitude. Given the in-situ oxide passivation capability of grown GaN surfaces and the one order of magnitude lower number of superlattice layers in case of higher refractive index contrast (oxide/Si) systems with respect to classical III-N DBR superlattices, virtual GaN substrates on Si via functional oxide buffer systems are thus a promising robust approach for future GaN-based UV detector technologies.

  12. Single-junction solar cells with the optimum band gap for terrestrial concentrator applications

    DOE Patents [OSTI]

    Wanlass, M.W.

    1994-12-27

    A single-junction solar cell is described having the ideal band gap for terrestrial concentrator applications. Computer modeling studies of single-junction solar cells have shown that the presence of absorption bands in the direct spectrum has the effect of ''pinning'' the optimum band gap for a wide range of operating conditions at a value of 1.14[+-]0.02 eV. Efficiencies exceeding 30% may be possible at high concentration ratios for devices with the ideal band gap. 7 figures.

  13. Wide band gap p-type nanocrystalline CuBO{sub 2} as a novel UV photocatalyst

    SciTech Connect (OSTI)

    Santra, S.; Das, N.S.; Chattopadhyay, K.K.

    2013-07-15

    Graphical abstract: - Highlights: CuBO{sub 2} nanocrystals were synthesized by solgel route. The products have been characterized to confirm the formation of CuBO{sub 2}. Photocatalytic activity of this material is reported for the first time. - Abstract: Wide band gap copper based delafossite CuBO{sub 2} nanocrystalline powders of different particle sizes were synthesized via solgel route. Structural characterization was performed using X-ray diffraction (XRD) and transmission electron microscopy (TEM) which confirmed good crystallinity and proper phase formation of the samples. Compositional analysis was carried out by energy dispersive X-ray studies (EDX), whereas field emission scanning electron microscopy revealed morphological information of the samples. The photocatalytic performance of this delafossite material was studied for the first time with a standard photocatalytic set-up and the photocatalytic efficiency was found to increase with decreasing particle size. The LangmuirHinshelwood photocatalytic rate constants increased considerably for the samples synthesized at different pH from 2.75 to 0.5; which eventually varied particle size. The efficient photocatalytic performance, found for the first time here, will make this novel p-type wide band gap semiconductor a truly multifunctional material.

  14. Selective etchant for oxide sacrificial material in semiconductor device fabrication

    DOE Patents [OSTI]

    Clews, Peggy J.; Mani, Seethambal S.

    2005-05-17

    An etching composition and method is disclosed for removing an oxide sacrificial material during manufacture of semiconductor devices including micromechanical, microelectromechanical or microfluidic devices. The etching composition and method are based on the combination of hydrofluoric acid (HF) and sulfuric acid (H.sub.2 SO.sub.4). These acids can be used in the ratio of 1:3 to 3:1 HF:H.sub.2 SO.sub.4 to remove all or part of the oxide sacrificial material while providing a high etch selectivity for non-oxide materials including polysilicon, silicon nitride and metals comprising aluminum. Both the HF and H.sub.2 SO.sub.4 can be provided as "semiconductor grade" acids in concentrations of generally 40-50% by weight HF, and at least 90% by weight H.sub.2 SO.sub.4.

  15. Significant Reduction in NiO Band Gap Upon Formation of LixNi1...

    Office of Scientific and Technical Information (OSTI)

    Significant Reduction in NiO Band Gap Upon Formation of LixNi1-xO alloys: Applications To Solar Energy Conversion Citation Details In-Document Search Title: Significant Reduction ...

  16. Optical Absorption and Band Gap Reduction in (Fe 1-x Cr x ) 2...

    Office of Scientific and Technical Information (OSTI)

    Broadening of the valence band due to hybridization of the O 2p states with Fe and Cr 3d states also contributes to band gap reduction. Authors: Wang, Yong ; Lopata, Kenneth ; ...

  17. The Band Gap of AlGaN Alloys (Journal Article) | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Journal Article: The Band Gap of AlGaN Alloys Citation Details In-Document Search Title: The Band ... Publication Date: 1999-01-29 OSTI Identifier: 3336 Report Number(s): ...

  18. Tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge

    SciTech Connect (OSTI)

    Inaoka, Takeshi Furukawa, Takuro; Toma, Ryo; Yanagisawa, Susumu

    2015-09-14

    By means of a hybrid density-functional method, we investigate the tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge. We consider [001], [111], and [110] uniaxial tensility and (001), (111), and (110) biaxial tensility. Under the condition of no normal stress, we determine both normal compression and internal strain, namely, relative displacement of two atoms in the primitive unit cell, by minimizing the total energy. We identify those strain types which can induce the band-gap transition, and evaluate the critical strain coefficient where the gap transition occurs. Either normal compression or internal strain operates unfavorably to induce the gap transition, which raises the critical strain coefficient or even blocks the transition. We also examine how each type of tensile strain decreases the band-gap energy, depending on its orientation. Our analysis clearly shows that synergistic operation of strain orientation and band anisotropy has a great influence on the gap transition and the gap energy.

  19. Generic process for preparing a crystalline oxide upon a group IV semiconductor substrate

    DOE Patents [OSTI]

    McKee, Rodney A.; Walker, Frederick J.; Chisholm, Matthew F.

    2000-01-01

    A process for growing a crystalline oxide epitaxially upon the surface of a Group IV semiconductor, as well as a structure constructed by the process, is described. The semiconductor can be germanium or silicon, and the crystalline oxide can generally be represented by the formula (AO).sub.n (A'BO.sub.3).sub.m in which "n" and "m" are non-negative integer repeats of planes of the alkaline earth oxides or the alkaline earth-containing perovskite oxides. With atomic level control of interfacial thermodynamics in a multicomponent semiconductor/oxide system, a highly perfect interface between a semiconductor and a crystalline oxide can be obtained.

  20. Band gap engineering for graphene by using Na{sup +} ions

    SciTech Connect (OSTI)

    Sung, S. J.; Lee, P. R.; Kim, J. G.; Ryu, M. T.; Park, H. M.; Chung, J. W.

    2014-08-25

    Despite the noble electronic properties of graphene, its industrial application has been hindered mainly by the absence of a stable means of producing a band gap at the Dirac point (DP). We report a new route to open a band gap (E{sub g}) at DP in a controlled way by depositing positively charged Na{sup +} ions on single layer graphene formed on 6H-SiC(0001) surface. The doping of low energy Na{sup +} ions is found to deplete the ?* band of graphene above the DP, and simultaneously shift the DP downward away from Fermi energy indicating the opening of E{sub g}. The band gap increases with increasing Na{sup +} coverage with a maximum E{sub g}?0.70?eV. Our core-level data, C 1s, Na 2p, and Si 2p, consistently suggest that Na{sup +} ions do not intercalate through graphene, but produce a significant charge asymmetry among the carbon atoms of graphene to cause the opening of a band gap. We thus provide a reliable way of producing and tuning the band gap of graphene by using Na{sup +} ions, which may play a vital role in utilizing graphene in future nano-electronic devices.

  1. Better band gaps with asymptotically corrected local exchange potentials

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Singh, Prashant; Harbola, Manoj K.; Hemanadhan, M.; Mookerjee, Abhijit; Johnson, D. D.

    2016-02-22

    In this study, we formulate a spin-polarized van Leeuwen and Baerends (vLB) correction to the local density approximation (LDA) exchange potential [R. van Leeuwen and E. J. Baerends, Phys. Rev. A 49, 2421 (1994)] that enforces the ionization potential (IP) theorem following T. Stein et al. [Phys. Rev. Lett. 105, 266802 (2010)]. For electronic-structure problems, the vLB correction replicates the behavior of exact-exchange potentials, with improved scaling and well-behaved asymptotics, but with the computational cost of semilocal functionals. The vLB + IP correction produces a large improvement in the eigenvalues over those from the LDA due to correct asymptotic behaviormore » and atomic shell structures, as shown in rare-gas, alkaline-earth, zinc-based oxides, alkali halides, sulfides, and nitrides. In half-Heusler alloys, this asymptotically corrected LDA reproduces the spin-polarized properties correctly, including magnetism and half-metallicity. We also consider finite-sized systems [e.g., ringed boron nitride (B12N12) and graphene (C24)] to emphasize the wide applicability of the method.« less

  2. Method of manufacturing flexible metallic photonic band gap structures, and structures resulting therefrom

    DOE Patents [OSTI]

    Gupta, Sandhya; Tuttle, Gary L.; Sigalas, Mihail; McCalmont, Jonathan S.; Ho, Kai-Ming

    2001-08-14

    A method of manufacturing a flexible metallic photonic band gap structure operable in the infrared region, comprises the steps of spinning on a first layer of dielectric on a GaAs substrate, imidizing this first layer of dielectric, forming a first metal pattern on this first layer of dielectric, spinning on and imidizing a second layer of dielectric, and then removing the GaAs substrate. This method results in a flexible metallic photonic band gap structure operable with various filter characteristics in the infrared region. This method may be used to construct multi-layer flexible metallic photonic band gap structures. Metal grid defects and dielectric separation layer thicknesses are adjusted to control filter parameters.

  3. Local strain effect on the band gap engineering of graphene by a first-principles study

    SciTech Connect (OSTI)

    Gui, Gui; Booske, John; Ma, Zhenqiang E-mail: mazq@engr.wisc.edu; Morgan, Dane; Zhong, Jianxin E-mail: mazq@engr.wisc.edu

    2015-02-02

    We have systematically investigated the effect of local strain on electronic properties of graphene by first-principles calculations. Two major types of local strain, oriented along the zigzag and the armchair directions, have been studied. We find that local strain with a proper range and strength along the zigzag direction results in opening of significant band gaps in graphene, on the order of 10{sup ?1?}eV; whereas, local strain along the armchair direction cannot open a significant band gap in graphene. Our results show that appropriate local strain can effectively open and tune the band gap in graphene; therefore, the electronic and transport properties of graphene can also be modified.

  4. Structural studies and band gap tuning of Cr doped ZnO nanoparticles

    SciTech Connect (OSTI)

    Srinet, Gunjan Kumar, Ravindra Sajal, Vivek

    2014-04-24

    Structural and optical properties of Cr doped ZnO nanoparticles prepared by the thermal decomposition method are presented. X-ray diffraction studies confirmed the substitution of Cr on Zn sites without changing the wurtzite structure of ZnO. Modified form of W-H equations was used to calculate various physical parameters and their variation with Cr doping is discussed. Significant red shift was observed in band gap, i.e., a band gap tuning is achieved by Cr doping which could eventually be useful for optoelectronic applications.

  5. Electronegativity calculation of bulk modulus and band gap of ternary ZnO-based alloys

    SciTech Connect (OSTI)

    Li, Keyan; Kang, Congying [State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Dalian University of Technology, Dalian 116024 (China)] [State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Dalian University of Technology, Dalian 116024 (China); Xue, Dongfeng, E-mail: dongfeng@ciac.jl.cn [State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Dalian University of Technology, Dalian 116024 (China) [State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Dalian University of Technology, Dalian 116024 (China); State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China)

    2012-10-15

    In this work, the bulk moduli and band gaps of M{sub x}Zn{sub 1?x}O (M = Be, Mg, Ca, Cd) alloys in the whole composition range were quantitatively calculated by using the electronegativity-related models for bulk modulus and band gap, respectively. We found that the change trends of bulk modulus and band gap with an increase of M concentration x are same for Be{sub x}Zn{sub 1?x}O and Cd{sub x}Zn{sub 1?x}O, while the change trends are reverse for Mg{sub x}Zn{sub 1?x}O and Ca{sub x}Zn{sub 1?x}O. It was revealed that the bulk modulus is related to the valence electron density of atoms whereas the band gap is strongly influenced by the detailed chemical bonding behaviors of constituent atoms. The current work provides us a useful guide to compositionally design advanced alloy materials with both good mechanical and optoelectronic properties.

  6. Band-gap and band-edge engineering of multicomponent garnet scintillators from first principles

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Yadav, Satyesh K.; Uberuaga, Blas P.; Nikl, Martin; Jiang, Chao; Stanek, Christopher R.

    2015-11-24

    Complex doping schemes in R3Al5O12 (where R is the rare-earth element) garnet compounds have recently led to pronounced improvements in scintillator performance. Specifically, by admixing lutetium and yttrium aluminate garnets with gallium and gadolinium, the band gap is altered in a manner that facilitates the removal of deleterious electron trapping associated with cation antisite defects. Here, we expand upon this initial work to systematically investigate the effect of substitutional admixing on the energy levels of band edges. Density-functional theory and hybrid density-functional theory (HDFT) are used to survey potential admixing candidates that modify either the conduction-band minimum (CBM) or valence-bandmore » maximum (VBM). We consider two sets of compositions based on Lu3B5O12 where B is Al, Ga, In, As, and Sb, and R3Al5O12, where R is Lu, Gd, Dy, and Er. We find that admixing with various R cations does not appreciably affect the band gap or band edges. In contrast, substituting Al with cations of dissimilar ionic radii has a profound impact on the band structure. We further show that certain dopants can be used to selectively modify only the CBM or the VBM. Specifically, Ga and In decrease the band gap by lowering the CBM, while As and Sb decrease the band gap by raising the VBM, the relative change in band gap is quantitatively validated by HDFT. These results demonstrate a powerful approach to quickly screen the impact of dopants on the electronic structure of scintillator compounds, identifying those dopants which alter the band edges in very specific ways to eliminate both electron and hole traps responsible for performance limitations. Furthermore, this approach should be broadly applicable for the optimization of electronic and optical performance for a wide range of compounds by tuning the VBM and CBM.« less

  7. L{sub g}?=?100?nm In{sub 0.7}Ga{sub 0.3}As quantum well metal-oxide semiconductor field-effect transistors with atomic layer deposited beryllium oxide as interfacial layer

    SciTech Connect (OSTI)

    Koh, D., E-mail: dh.koh@utexas.edu, E-mail: Taewoo.Kim@sematech.org [Department of Electrical and Computer Engineering, Microelectronics Research Center, The University of Texas at Austin, Austin, Texas 78758 (United States); SEMATECH, Inc., Albany, New York 12203 (United States); Kwon, H. M. [Department of Electronics Engineering, Chungnam National University, Daejeon 305-764 (Korea, Republic of); Kim, T.-W., E-mail: dh.koh@utexas.edu, E-mail: Taewoo.Kim@sematech.org; Veksler, D.; Gilmer, D.; Kirsch, P. D. [SEMATECH, Inc., Albany, New York 12203 (United States); Kim, D.-H. [SEMATECH, Inc., Albany, New York 12203 (United States); GLOBALFOUNDRIES, Malta, New York 12020 (United States); Hudnall, Todd W. [Department of Chemistry and Biochemistry, Texas State University, San Marcos, Texas, 78666 (United States); Bielawski, Christopher W. [Department of Chemistry and Biochemistry, The University of Texas at Austin, Austin, Texas 78712 (United States); Maszara, W. [GLOBALFOUNDRIES, Santa Clara, California 95054 (United States); Banerjee, S. K. [Department of Electrical and Computer Engineering, Microelectronics Research Center, The University of Texas at Austin, Austin, Texas 78758 (United States)

    2014-04-21

    In this study, we have fabricated nanometer-scale channel length quantum-well (QW) metal-oxide-semiconductor field effect transistors (MOSFETs) incorporating beryllium oxide (BeO) as an interfacial layer. BeO has high thermal stability, excellent electrical insulating characteristics, and a large band-gap, which make it an attractive candidate for use as a gate dielectric in making MOSFETs. BeO can also act as a good diffusion barrier to oxygen owing to its small atomic bonding length. In this work, we have fabricated In{sub 0.53}Ga{sub 0.47}As MOS capacitors with BeO and Al{sub 2}O{sub 3} and compared their electrical characteristics. As interface passivation layer, BeO/HfO{sub 2} bilayer gate stack presented effective oxide thickness less 1 nm. Furthermore, we have demonstrated In{sub 0.7}Ga{sub 0.3}As QW MOSFETs with a BeO/HfO{sub 2} dielectric, showing a sub-threshold slope of 100?mV/dec, and a transconductance (g{sub m,max}) of 1.1 mS/?m, while displaying low values of gate leakage current. These results highlight the potential of atomic layer deposited BeO for use as a gate dielectric or interface passivation layer for IIIV MOSFETs at the 7?nm technology node and/or beyond.

  8. Band gaps and internal electric fields in semipolar short period InN/GaN superlattices

    SciTech Connect (OSTI)

    Gorczyca, I.; Skrobas, K.; Suski, T.; Christensen, N. E.; Svane, A.

    2014-06-09

    The electronic structures and internal electric fields of semipolar short-period mInN/nGaN superlattices (SLs) have been calculated for several compositions (m, n). Two types of SL are considered, (112{sup ¯}2) and (202{sup ¯}1), corresponding to growth along the wurtzite s2 and s6 directions, respectively. The results are compared to similar calculations for polar SLs (grown in the c-direction) and nonpolar SLs (grown in the a- and m-directions). The calculated band gaps for the semipolar SLs lie between those calculated for the nonpolar and polar SLs: For s2-SLs they fall slightly below the band gaps of a-plane SLs, whereas for s6-SLs they are considerably smaller.

  9. Periodic dielectric structure for production of photonic band gap and method for fabricating the same

    DOE Patents [OSTI]

    Ozbay, Ekmel; Tuttle, Gary; Michel, Erick; Ho, Kai-Ming; Biswas, Rana; Chan, Che-Ting; Soukoulis, Costas

    1995-01-01

    A method for fabricating a periodic dielectric structure which exhibits a photonic band gap. Alignment holes are formed in a wafer of dielectric material having a given crystal orientation. A planar layer of elongate rods is then formed in a section of the wafer. The formation of the rods includes the step of selectively removing the dielectric material of the wafer between the rods. The formation of alignment holes and layers of elongate rods and wafers is then repeated to form a plurality of patterned wafers. A stack of patterned wafers is then formed by rotating each successive wafer with respect to the next-previous wafer, and then placing the successive wafer on the stack. This stacking results in a stack of patterned wafers having a four-layer periodicity exhibiting a photonic band gap.

  10. Periodic dielectric structure for production of photonic band gap and method for fabricating the same

    DOE Patents [OSTI]

    Ozbay, E.; Tuttle, G.; Michel, E.; Ho, K.M.; Biswas, R.; Chan, C.T.; Soukoulis, C.

    1995-04-11

    A method is disclosed for fabricating a periodic dielectric structure which exhibits a photonic band gap. Alignment holes are formed in a wafer of dielectric material having a given crystal orientation. A planar layer of elongate rods is then formed in a section of the wafer. The formation of the rods includes the step of selectively removing the dielectric material of the wafer between the rods. The formation of alignment holes and layers of elongate rods and wafers is then repeated to form a plurality of patterned wafers. A stack of patterned wafers is then formed by rotating each successive wafer with respect to the next-previous wafer, and then placing the successive wafer on the stack. This stacking results in a stack of patterned wafers having a four-layer periodicity exhibiting a photonic band gap. 42 figures.

  11. Determining the band gap and mean kinetic energy of atoms from reflection electron energy loss spectra

    SciTech Connect (OSTI)

    Vos, M.; Marmitt, G. G.; Finkelstein, Y.; Moreh, R.

    2015-09-14

    Reflection electron energy loss spectra from some insulating materials (CaCO{sub 3}, Li{sub 2}CO{sub 3}, and SiO{sub 2}) taken at relatively high incoming electron energies (5–40 keV) are analyzed. Here, one is bulk sensitive and a well-defined onset of inelastic excitations is observed from which one can infer the value of the band gap. An estimate of the band gap was obtained by fitting the spectra with a procedure that includes the recoil shift and recoil broadening affecting these measurements. The width of the elastic peak is directly connected to the mean kinetic energy of the atom in the material (Doppler broadening). The experimentally obtained mean kinetic energies of the O, C, Li, Ca, and Si atoms are compared with the calculated ones, and good agreement is found, especially if the effect of multiple scattering is taken into account. It is demonstrated experimentally that the onset of the inelastic excitation is also affected by Doppler broadening. Aided by this understanding, we can obtain a good fit of the elastic peak and the onset of inelastic excitations. For SiO{sub 2}, good agreement is obtained with the well-established value of the band gap (8.9 eV) only if it is assumed that the intensity near the edge scales as (E − E{sub gap}){sup 1.5}. For CaCO{sub 3}, the band gap obtained here (7 eV) is about 1 eV larger than the previous experimental value, whereas the value for Li{sub 2}CO{sub 3} (7.5 eV) is the first experimental estimate.

  12. Reflection technique for thermal mapping of semiconductors

    DOE Patents [OSTI]

    Walter, Martin J.

    1989-06-20

    Semiconductors may be optically tested for their temperatures by illuminating them with tunable monochromatic electromagnetic radiation and observing the light reflected off of them. A transition point will occur when the wavelength of the light corresponds with the actual band gap energy of the semiconductor. At the transition point, the image of the semiconductor will appreciably darken as the light is transmitted through it, rather than being reflected off of it. The wavelength of the light at the transition point corresponds to the actual band gap energy and the actual temperature of the semiconductor.

  13. 2010 Defects in Semiconductors GRC

    SciTech Connect (OSTI)

    Shengbai Zhang

    2011-01-06

    Continuing its tradition of excellence, this Gordon Conference will focus on research at the forefront of the field of defects in semiconductors. The conference will have a strong emphasis on the control of defects during growth and processing, as well as an emphasis on the development of novel defect detection methods and first-principles defect theories. Electronic, magnetic, and optical properties of bulk, thin film, and nanoscale semiconductors will be discussed in detail. In contrast to many conferences, which tend to focus on specific semiconductors, this conference will deal with point and extended defects in a broad range of electronic materials. This approach has proved to be extremely fruitful for advancing fundamental understanding in emerging materials such as wide-band-gap semiconductors, oxides, sp{sup 2} carbon based-materials, and photovoltaic/solar cell materials, and in understanding important defect phenomena such as doping bottleneck in nanostructures and the diffusion of defects and impurities. The program consists of about twenty invited talks and a number of contributed poster sessions. The emphasis should be on work which has yet to be published. The large amount of discussion time provides an ideal forum for dealing with topics that are new and/or controversial.

  14. Novel Iron-based ternary amorphous oxide semiconductor with very high transparency, electronic conductivity, and mobility

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Malasi, A.; Taz, H.; Farah, A.; Patel, M.; Lawrie, Benjamin; Pooser, R.; Baddorf, A.; Duscher, G.; Kalyanaraman, R.

    2015-12-16

    We report that ternary metal oxides of type (Me)2O3 with the primary metal (Me) constituent being Fe (66 atomic (at.) %) along with the two Lanthanide elements Tb (10 at.%) and Dy (24 at.%) can show excellent semiconducting transport properties. Thin films prepared by pulsed laser deposition at room temperature followed by ambient oxidation showed very high electronic conductivity (>5 × 104 S/m) and Hall mobility (>30 cm2/V-s). These films had an amorphous microstructure which was stable to at least 500 °C and large optical transparency with a direct band gap of 2.85 ± 0.14 eV. This material shows emergentmore » semiconducting behavior with significantly higher conductivity and mobility than the constituent insulating oxides. In conclusion, since these results demonstrate a new way to modify the behaviors of transition metal oxides made from unfilled d- and/or f-subshells, a new class of functional transparent conducting oxide materials could be envisioned.« less

  15. Novel Iron-based ternary amorphous oxide semiconductor with very high transparency, electronic conductivity, and mobility

    SciTech Connect (OSTI)

    Malasi, A.; Taz, H.; Farah, A.; Patel, M.; Lawrie, Benjamin; Pooser, R.; Baddorf, A.; Duscher, G.; Kalyanaraman, R.

    2015-12-16

    We report that ternary metal oxides of type (Me)2O3 with the primary metal (Me) constituent being Fe (66 atomic (at.) %) along with the two Lanthanide elements Tb (10 at.%) and Dy (24 at.%) can show excellent semiconducting transport properties. Thin films prepared by pulsed laser deposition at room temperature followed by ambient oxidation showed very high electronic conductivity (>5 × 104 S/m) and Hall mobility (>30 cm2/V-s). These films had an amorphous microstructure which was stable to at least 500 °C and large optical transparency with a direct band gap of 2.85 ± 0.14 eV. This material shows emergent semiconducting behavior with significantly higher conductivity and mobility than the constituent insulating oxides. In conclusion, since these results demonstrate a new way to modify the behaviors of transition metal oxides made from unfilled d- and/or f-subshells, a new class of functional transparent conducting oxide materials could be envisioned.

  16. Photonic band gaps in three-dimensional network structures with short-range order

    SciTech Connect (OSTI)

    Liew, Seng Fatt; Noh, Heeso; Yang, Jin-Kyu; Schreck, Carl F.; Dufresne, Eric R.; O'Hern, Corey S.; Cao, Hui

    2011-12-15

    We present a systematic study of photonic band gaps (PBGs) in three-dimensional (3D) photonic amorphous structures (PASs) with short-range order. From calculations of the density of optical states (DOS) for PASs with different topologies, we find that tetrahedrally connected dielectric networks produce the largest isotropic PBGs. Local uniformity and tetrahedral order are essential to the formation of PBGs in PASs, in addition to short-range geometric order. This work demonstrates that it is possible to create broad, isotropic PBGs for vector light fields in 3D PASs without long-range order.

  17. Analysis of plasma-magnetic photonic crystal with a tunable band gap

    SciTech Connect (OSTI)

    Mehdian, H.; Mohammadzahery, Z.; Hasanbeigi, A. [Department of Physics and Plasma Research Institute of Tarbiat Moallem University, 49 Dr Mofatteh Avenue, Tehran 15614 (Iran, Islamic Republic of)

    2013-04-15

    In this paper, electromagnetic wave propagation through the one-dimensional plasma-magnetic photonic crystal in the presence of external magnetic field has been analyzed. The dispersion relation, transmission and reflection coefficients have been obtained by using the transfer matrix method. It is investigated how photonic band gap of photonic crystals will be tuned when both dielectric function {epsilon} and magnetic permeability {mu} of the constitutive materials, depend on applied magnetic field. This is shown by one dimensional photonic crystals consisting of plasma and ferrite material layers stacked alternately.

  18. Formation of Bragg band gaps in anisotropic phononic crystals analyzed with the empty lattice model

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wang, Yan -Feng; Maznev, Alexei; Laude, Vincent

    2016-05-11

    Bragg band gaps of phononic crystals generally, but not always, open at Brillouin zone boundaries. The commonly accepted explanation stems from the empty lattice model: assuming a small material contrast between the constituents of the unit cell, avoided crossings in the phononic band structure appear at frequencies and wavenumbers corresponding to band intersections; for scalar waves the lowest intersections coincide with boundaries of the first Brillouin zone. However, if a phononic crystal contains elastically anisotropic materials, its overall symmetry is not dictated solely by the lattice symmetry. We construct an empty lattice model for phononic crystals made of isotropic andmore » anisotropic materials, based on their slowness curves. We find that, in the anisotropic case, avoided crossings generally do not appear at the boundaries of traditionally defined Brillouin zones. Furthermore, the Bragg "planes" which give rise to phononic band gaps, are generally not flat planes but curved surfaces. Lastly, the same is found to be the case for avoided crossings between shear (transverse) and longitudinal bands in the isotropic case.« less

  19. Periodic dielectric structure for production of photonic band gap and devices incorporating the same

    DOE Patents [OSTI]

    Ho, Kai-Ming; Chan, Che-Ting; Soukoulis, Costas

    1994-08-02

    A periodic dielectric structure which is capable of producing a photonic band gap and which is capable of practical construction. The periodic structure is formed of a plurality of layers, each layer being formed of a plurality of rods separated by a given spacing. The material of the rods contrasts with the material between the rods to have a refractive index contrast of at least two. The rods in each layer are arranged with their axes parallel and at a given spacing. Adjacent layers are rotated by 90.degree., such that the axes of the rods in any given layer are perpendicular to the axes in its neighbor. Alternating layers (that is, successive layers of rods having their axes parallel such as the first and third layers) are offset such that the rods of one are about at the midpoint between the rods of the other. A four-layer periocity is thus produced, and successive layers are stacked to form a three-dimensional structure which exhibits a photonic band gap. By virtue of forming the device in layers of elongate members, it is found that the device is susceptible of practical construction.

  20. First-principles study of band gap engineering via oxygen vacancy doping in perovskite ABB'O₃ solid solutions

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Qi, Tingting; Curnan, Matthew T.; Kim, Seungchul; Bennett, Joseph W.; Grinberg, Ilya; Rappe, Andrew M.

    2011-12-15

    Oxygen vacancies in perovskite oxide solid solutions are fundamentally interesting and technologically important. However, experimental characterization of the vacancy locations and their impact on electronic structure is challenging. We have carried out first-principles calculations on two Zr-modified solid solutions, Pb(Zn1/3Nb2/3)O₃ and Pb(Mg1/3Nb2/3)O₃, in which vacancies are present. We find that the vacancies are more likely to reside between low-valent cation-cation pairs than high-valent cation-cation pairs. Based on the analysis of our results, we formulate guidelines that can be used to predict the location of oxygen vacancies in perovskite solid solutions. Our results show that vacancies can have a significant impactmore » on both the conduction and valence band energies, in some cases lowering the band gap by ≈0.5 eV. The effects of vacancies on the electronic band structure can be understood within the framework of crystal field theory.« less

  1. Photonic-band-gap effects in two-dimensional polycrystalline and amorphous structures

    SciTech Connect (OSTI)

    Yang, Jin-Kyu; Noh, Heeso; Liew, Seng-Fatt; Schreck, Carl; Guy, Mikhael I.; O'Hern, Corey S.; Cao, Hui

    2010-11-15

    We study numerically the density of optical states (DOS) in two-dimensional photonic structures with short-range positional order and observe a transition from polycrystalline to amorphous photonic systems. In polycrystals, photonic band gaps (PBGs) are formed within individual domains, which leads to a depletion of the DOS similar to that in periodic structures. In amorphous photonic media, the domain sizes are too small to form PBGs, thus the depletion of the DOS is weakened significantly. The critical domain size that separates the polycrystalline and amorphous regimes is determined by the attenuation length of Bragg scattering, which depends not only on the degree of positional order but also the refractive-index contrast of the photonic material. Even with relatively low-refractive-index contrast, we find that modest short-range positional order in photonic structures enhances light confinement via collective scattering and interference.

  2. Observation of Wakefield Suppression in a Photonic-Band-Gap Accelerator Structure

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Simakov, Evgenya I.; Arsenyev, Sergey A.; Buechler, Cynthia E.; Edwards, Randall L.; Romero, William P.; Conde, Manoel; Ha, Gwanghui; Power, John G.; Wisniewski, Eric E.; Jing, Chunguang

    2016-02-10

    We report experimental observation of higher order mode (HOM) wakefield suppression in a room-temperature traveling-wave photonic band gap (PBG) accelerating structure at 11.700 GHz. It has been long recognized that PBG structures have potential for reducing long-range wakefields in accelerators. The first ever demonstration of acceleration in a room-temperature PBG structure was conducted in 2005. Since then, the importance of PBG accelerator research has been recognized by many institutions. However, the full experimental characterization of the wakefield spectrum and demonstration of wakefield suppression when the accelerating structure is excited by an electron beam has not been performed to date. Wemore » conducted an experiment at the Argonne Wakefield Accelerator (AWA) test facility and observed wakefields excited by a single high charge electron bunch when it passes through a PBG accelerator structure. Lastly, excellent HOM suppression properties of the PBG accelerator were demonstrated in the beam test.« less

  3. A versatile optical junction using photonic band-gap guidance and self collimation

    SciTech Connect (OSTI)

    Gupta, Man Mohan; Medhekar, Sarang

    2014-09-29

    We show that it is possible to design two photonic crystal (PC) structures such that an optical beam of desired wavelength gets guided within the line defect of the first structure (photonic band gap guidance) and the same beam gets guided in the second structure by self-collimation. Using two dimensional simulation of a design made of the combination of these two structures, we propose an optical junction that allows for crossing of two optical signals of same wavelength and same polarization with very low crosstalk. Moreover, the junction can be operated at number of frequencies in a wide range. Crossing of multiple beams with very low cross talk is also possible. The proposed junction should be important in future integrated photonic circuits.

  4. Direct band gap measurement of Cu(In,Ga)(Se,S){sub 2} thin films using high-resolution reflection electron energy loss spectroscopy

    SciTech Connect (OSTI)

    Heo, Sung; Lee, Hyung-Ik; Park, Jong-Bong; Ko, Dong-Su; Chung, JaeGwan; Kim, KiHong; Kim, Seong Heon; Yun, Dong-Jin; Ham, YongNam; Park, Gyeong Su; Song, Taewon; Lee, Dongho Nam, Junggyu; Kang, Hee Jae; Choi, Pyung-Ho; Choi, Byoung-Deog

    2015-06-29

    To investigate the band gap profile of Cu(In{sub 1−x},Ga{sub x})(Se{sub 1−y}S{sub y}){sub 2} of various compositions, we measured the band gap profile directly as a function of in-depth using high-resolution reflection energy loss spectroscopy (HR-REELS), which was compared with the band gap profile calculated based on the auger depth profile. The band gap profile is a double-graded band gap as a function of in-depth. The calculated band gap obtained from the auger depth profile seems to be larger than that by HR-REELS. Calculated band gaps are to measure the average band gap of the spatially different varying compositions with respect to considering its void fraction. But, the results obtained using HR-REELS are to be affected by the low band gap (i.e., out of void) rather than large one (i.e., near void). Our findings suggest an analytical method to directly determine the band gap profile as function of in-depth.

  5. Structural and optical properties of Ag-doped copper oxide thin films on polyethylene napthalate substrate prepared by low temperature microwave annealing

    SciTech Connect (OSTI)

    Das, Sayantan; Alford, T. L.

    2013-06-28

    Silver doped cupric oxide thin films are prepared on polyethylene naphthalate (flexible polymer) substrates. Thin films Ag-doped CuO are deposited on the substrate by co-sputtering followed by microwave assisted oxidation of the metal films. The low temperature tolerance of the polymer substrates led to the search for innovative low temperature processing techniques. Cupric oxide is a p-type semiconductor with an indirect band gap and is used as selective absorption layer solar cells. X-ray diffraction identifies the CuO phases. Rutherford backscattering spectrometry measurements confirm the stoichiometry of each copper oxide formed. The surface morphology is determined by atomic force microscopy. The microstructural properties such as crystallite size and the microstrain for (-111) and (111) planes are calculated and discussed. Incorporation of Ag led to the lowering of band gap in CuO. Consequently, it is determined that Ag addition has a strong effect on the structural, morphological, surface, and optical properties of CuO grown on flexible substrates by microwave annealing. Tauc's plot is used to determine the optical band gap of CuO and Ag doped CuO films. The values of the indirect and direct band gap for CuO are found to be 2.02 eV and 3.19 eV, respectively.

  6. Atomic layer deposition of perovskite oxides and their epitaxial integration with Si, Ge, and other semiconductors

    SciTech Connect (OSTI)

    McDaniel, Martin D.; Ngo, Thong Q.; Hu, Shen; Ekerdt, John G.; Posadas, Agham; Demkov, Alexander A.

    2015-12-15

    Atomic layer deposition (ALD) is a proven technique for the conformal deposition of oxide thin films with nanoscale thickness control. Most successful industrial applications have been with binary oxides, such as Al{sub 2}O{sub 3} and HfO{sub 2}. However, there has been much effort to deposit ternary oxides, such as perovskites (ABO{sub 3}), with desirable properties for advanced thin film applications. Distinct challenges are presented by the deposition of multi-component oxides using ALD. This review is intended to highlight the research of the many groups that have deposited perovskite oxides by ALD methods. Several commonalities between the studies are discussed. Special emphasis is put on precursor selection, deposition temperatures, and specific property performance (high-k, ferroelectric, ferromagnetic, etc.). Finally, the monolithic integration of perovskite oxides with semiconductors by ALD is reviewed. High-quality epitaxial growth of oxide thin films has traditionally been limited to physical vapor deposition techniques (e.g., molecular beam epitaxy). However, recent studies have demonstrated that epitaxial oxide thin films may be deposited on semiconductor substrates using ALD. This presents an exciting opportunity to integrate functional perovskite oxides for advanced semiconductor applications in a process that is economical and scalable.

  7. Method for implantation of high dopant concentrations in wide band gap materials

    DOE Patents [OSTI]

    Usov, Igor; Arendt, Paul N.

    2009-09-15

    A method that combines alternate low/medium ion dose implantation with rapid thermal annealing at relatively low temperatures. At least one dopant is implanted in one of a single crystal and an epitaxial film of the wide band gap compound by a plurality of implantation cycles. The number of implantation cycles is sufficient to implant a predetermined concentration of the dopant in one of the single crystal and the epitaxial film. Each of the implantation cycles includes the steps of: implanting a portion of the predetermined concentration of the one dopant in one of the single crystal and the epitaxial film; annealing one of the single crystal and the epitaxial film and implanted portion at a predetermined temperature for a predetermined time to repair damage to one of the single crystal and the epitaxial film caused by implantation and activates the implanted dopant; and cooling the annealed single crystal and implanted portion to a temperature of less than about 100.degree. C. This combination produces high concentrations of dopants, while minimizing the defect concentration.

  8. Geometric phase and entanglement of Raman photon pairs in the presence of photonic band gap

    SciTech Connect (OSTI)

    Berrada, K.; Ooi, C. H. Raymond; Abdel-Khalek, S.

    2015-03-28

    Robustness of the geometric phase (GP) with respect to different noise effects is a basic condition for an effective quantum computation. Here, we propose a useful quantum system with real physical parameters by studying the GP of a pair of Stokes and anti-Stokes photons, involving Raman emission processes with and without photonic band gap (PBG) effect. We show that the properties of GP are very sensitive to the change of the Rabi frequency and time, exhibiting collapse phenomenon as the time becomes significantly large. The system allows us to obtain a state which remains with zero GP for longer times. This result plays a significant role to enhance the stabilization and control of the system dynamics. Finally, we investigate the nonlocal correlation (entanglement) between the pair photons by taking into account the effect of different parameters. An interesting correlation between the GP and entanglement is observed showing that the PBG stabilizes the fluctuations in the system and makes the entanglement more robust against the change of time and frequency.

  9. Effect of Hydrogen Passivation on the Electronic Structure of Ionic Semiconductor Nanostructures

    SciTech Connect (OSTI)

    Deng, H. X.; Li, S. S.; Li, J. B.; Wei, S. H.

    2012-05-15

    In theoretical studies of thin film and nanostructured semiconductors, pseudohydrogen (PH) is widely used to passivate the surface dangling bonds. Based on these calculations, it is often believed that nanostructured semiconductors, due to quantum confinement, have a larger band gap than their bulk counterparts. Using first-principles band structure theory calculation and comparing systematically the differences between PH-passivated and real-hydrogen-passivated (RH-passivated) semiconductor surfaces and nanocrystals, we show that, unlike PH passivation that always increases the band gap with respect to the bulk value, RH passivation of the nanostructured semiconductors can either increase or decrease the band gap, depending on the ionicity of the nanocompounds. The differences between PH and RH passivations decreases when the covalency of the semiconductor increases and can be explained using a band coupling model. This observation greatly increases the tunability of nanostructured semiconductor properties, especially for wide-gap ionic semiconductors.

  10. Microbially-mediated method for synthesis of non-oxide semiconductor nanoparticles

    DOE Patents [OSTI]

    Phelps, Tommy J.; Lauf, Robert J.; Moon, Ji Won; Rondinone, Adam J.; Love, Lonnie J.; Duty, Chad Edward; Madden, Andrew Stephen; Li, Yiliang; Ivanov, Ilia N.; Rawn, Claudia Jeanette

    2014-06-24

    The invention is directed to a method for producing non-oxide semiconductor nanoparticles, the method comprising: (a) subjecting a combination of reaction components to conditions conducive to microbially-mediated formation of non-oxide semiconductor nanoparticles, wherein said combination of reaction components comprises i) anaerobic microbes, ii) a culture medium suitable for sustaining said anaerobic microbes, iii) a metal component comprising at least one type of metal ion, iv) a non-metal component containing at least one non-metal selected from the group consisting of S, Se, Te, and As, and v) one or more electron donors that provide donatable electrons to said anaerobic microbes during consumption of the electron donor by said anaerobic microbes; and (b) isolating said non-oxide semiconductor nanoparticles, which contain at least one of said metal ions and at least one of said non-metals. The invention is also directed to non-oxide semiconductor nanoparticle compositions produced as above and having distinctive properties.

  11. Screening method for selecting semiconductor substrates having defects below a predetermined level in an oxide layer

    DOE Patents [OSTI]

    Warren, W.L.; Vanheusden, K.J.R.; Schwank, J.R.; Fleetwood, D.M.; Shaneyfelt, M.R.; Winokur, P.S.; Devine, R.A.B.

    1998-07-28

    A method is disclosed for screening or qualifying semiconductor substrates for integrated circuit fabrication. The method comprises the steps of annealing at least one semiconductor substrate at a first temperature in a defect-activating ambient (e.g. hydrogen, forming gas, or ammonia) for sufficient time for activating any defects within on oxide layer of the substrate; measuring a defect-revealing electrical characteristic of at least a portion of the oxide layer for determining a quantity of activated defects therein; and selecting substrates for which the quantity of activated defects is below a predetermined level. The defect-revealing electrical characteristic may be a capacitance-versus voltage (C-V) characteristic or a current-versus-voltage (I-V) characteristic that is dependent on an electrical charge in the oxide layer generated by the activated defects. Embodiments of the present invention may be applied for screening any type of semiconductor substrate or wafer having an oxide layer formed thereon or therein. This includes silicon-on-insulator substrates formed by a separation by the implantation of oxygen (SIMOX) process or the bond and etch back silicon-on-insulator (BESOI) process, as well as silicon substrates having a thermal oxide layer or a deposited oxide layer. 5 figs.

  12. Screening method for selecting semiconductor substrates having defects below a predetermined level in an oxide layer

    DOE Patents [OSTI]

    Warren, William L.; Vanheusden, Karel J. R.; Schwank, James R.; Fleetwood, Daniel M.; Shaneyfelt, Marty R.; Winokur, Peter S.; Devine, Roderick A. B.

    1998-01-01

    A method for screening or qualifying semiconductor substrates for integrated circuit fabrication. The method comprises the steps of annealing at least one semiconductor substrate at a first temperature in a defect-activating ambient (e.g. hydrogen, forming gas, or ammonia) for sufficient time for activating any defects within on oxide layer of the substrate; measuring a defect-revealing electrical characteristic of at least a portion of the oxide layer for determining a quantity of activated defects therein; and selecting substrates for which the quantity of activated defects is below a predetermined level. The defect-revealing electrical characteristic may be a capacitance-versus-voltage (C-V) characteristic or a current-versus-voltage (I-V) characteristic that is dependent on an electrical charge in the oxide layer generated by the activated defects. Embodiments of the present invention may be applied for screening any type of semiconductor substrate or wafer having an oxide layer formed thereon or therein. This includes silicon-on-insulator substrates formed by a separation by the implantation of oxygen (SIMOX) process or the bond and etch back silicon-on-insulator (BESOI) process, as well as silicon substrates having a thermal oxide layer or a deposited oxide layer.

  13. Method for restoring the resistance of indium oxide semiconductors after heating while in sealed structures

    DOE Patents [OSTI]

    Seager, C.H.; Evans, J.T. Jr.

    1998-11-24

    A method is described for counteracting increases in resistivity encountered when Indium Oxide resistive layers are subjected to high temperature annealing steps during semiconductor device fabrication. The method utilizes a recovery annealing step which returns the Indium Oxide layer to its original resistivity after a high temperature annealing step has caused the resistivity to increase. The recovery anneal comprises heating the resistive layer to a temperature between 100 C and 300 C for a period of time that depends on the annealing temperature. The recovery is observed even when the Indium Oxide layer is sealed under a dielectric layer. 1 fig.

  14. Method for restoring the resistance of indium oxide semiconductors after heating while in sealed structures

    DOE Patents [OSTI]

    Seager, Carleton H.; Evans, Jr., Joseph Tate

    1998-01-01

    A method for counteracting increases in resistivity encountered when Indium Oxide resistive layers are subjected to high temperature annealing steps during semiconductor device fabrication. The method utilizes a recovery annealing step which returns the Indium Oxide layer to its original resistivity after a high temperature annealing step has caused the resistivity to increase. The recovery anneal comprises heating the resistive layer to a temperature between 100.degree. C. and 300.degree. C. for a period of time that depends on the annealing temperature. The recovery is observed even when the Indium Oxide layer is sealed under a dielectric layer.

  15. Halftoning band gap of InAs/InP quantum dots using inductively coupled argon plasma-enhanced intermixing

    SciTech Connect (OSTI)

    Nie, D.; Mei, T.; Xu, C. D.; Dong, J. R.

    2006-09-25

    Inductively coupled argon plasma-enhanced intermixing of InAs/InP quantum dots grown on InP substrate is investigated. Intermixing is promoted by the near-surface defects generated by plasma exposure in annealing at a temperature of 600 deg. C for 30 s. The annealing results in a maximum differential band-gap blueshift of 106 nm but a thermal shift of only 10 nm. Band-gap halftones are obtained by controlling the amount of near-surface defects via wet chemical etching on the plasma-exposed InP cap layer. No degradation of quantum-dot crystal quality due to the process has been observed as evidenced by photoluminescence intensity.

  16. The change in dielectric constant, AC conductivity and optical band gaps of polymer electrolyte film: Gamma irradiation

    SciTech Connect (OSTI)

    Raghu, S. Subramanya, K. Sharanappa, C. Mini, V. Archana, K. Sanjeev, Ganesh Devendrappa, H.

    2014-04-24

    The effects of gamma (γ) irradiation on dielectric and optical properties of polymer electrolyte film were investigated. The dielectric constant and ac conductivity increases with γ dose. Also optical band gap decreased from 4.23 to 3.78ev after irradiation. A large dependence of the polymer properties on the irradiation dose was noticed. This suggests that there is a possibility of improving polymer electrolyte properties on gamma irradiation.

  17. Band gap and defect states of MgO thin films investigated using reflection electron energy loss spectroscopy

    SciTech Connect (OSTI)

    Heo, Sung; Cho, Eunseog; Lee, Hyung-Ik; Park, Gyeong Su; Kang, Hee Jae; Nagatomi, T.; Choi, Pyungho; Choi, Byoung-Deog

    2015-07-15

    The band gap and defect states of MgO thin films were investigated by using reflection electron energy loss spectroscopy (REELS) and high-energy resolution REELS (HR-REELS). HR-REELS with a primary electron energy of 0.3 keV revealed that the surface F center (FS) energy was located at approximately 4.2 eV above the valence band maximum (VBM) and the surface band gap width (E{sub g}{sup S}) was approximately 6.3 eV. The bulk F center (F{sub B}) energy was located approximately 4.9 eV above the VBM and the bulk band gap width was about 7.8 eV, when measured by REELS with 3 keV primary electrons. From a first-principles calculation, we confirmed that the 4.2 eV and 4.9 eV peaks were F{sub S} and F{sub B}, induced by oxygen vacancies. We also experimentally demonstrated that the HR-REELS peak height increases with increasing number of oxygen vacancies. Finally, we calculated the secondary electron emission yields (γ) for various noble gases. He and Ne were not influenced by the defect states owing to their higher ionization energies, but Ar, Kr, and Xe exhibited a stronger dependence on the defect states owing to their small ionization energies.

  18. Two-dimensional topological insulators with tunable band gaps: Single-layer HgTe and HgSe

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Li, Jin; He, Chaoyu; Meng, Lijun; Xiao, Huaping; Tang, Chao; Wei, Xiaolin; Kim, Jinwoong; Kioussis, Nicholas; Stocks, G. Malcolm; Zhong, Jianxin

    2015-09-14

    Here, we report that two-dimensional (2D) topological insulators (TIs) with large band gaps are of great importance for the future applications of quantum spin Hall (QSH) effect. Employing ab initio electronic calculations we propose a novel type of 2D topological insulators, the monolayer (ML) low-buckled (LB) mercury telluride (HgTe) and mercury selenide (HgSe), with tunable band gap. We demonstrate that LB HgTe (HgSe) monolayers undergo a trivial insulator to topological insulator transition under in-plane tensile strain of 2.6% (3.1%) due to the combination of the strain and the spin orbital coupling (SOC) effects. Furthermore, the band gaps can be tunedmore » up to large values (0.2 eV for HgTe and 0.05 eV for HgSe) by tensile strain, which far exceed those of current experimentally realized 2D quantum spin Hall insulators. Our results suggest a new type of material suitable for practical applications of 2D TI at room-temperature.« less

  19. Ferroelectric switching of poly(vinylidene difluoride-trifluoroethylene) in metal-ferroelectric-semiconductor non-volatile memories with an amorphous oxide semiconductor

    SciTech Connect (OSTI)

    Gelinck, G. H.; Breemen, A. J. J. M. van; Cobb, B.

    2015-03-02

    Ferroelectric polarization switching of poly(vinylidene difluoride-trifluoroethylene) is investigated in different thin-film device structures, ranging from simple capacitors to dual-gate thin-film transistors (TFT). Indium gallium zinc oxide, a high mobility amorphous oxide material, is used as semiconductor. We find that the ferroelectric can be polarized in both directions in the metal-ferroelectric-semiconductor (MFS) structure and in the dual-gate TFT under certain biasing conditions, but not in the single-gate thin-film transistors. These results disprove the common belief that MFS structures serve as a good model system for ferroelectric polarization switching in thin-film transistors.

  20. Thermovoltaic semiconductor device including a plasma filter

    DOE Patents [OSTI]

    Baldasaro, Paul F.

    1999-01-01

    A thermovoltaic energy conversion device and related method for converting thermal energy into an electrical potential. An interference filter is provided on a semiconductor thermovoltaic cell to pre-filter black body radiation. The semiconductor thermovoltaic cell includes a P/N junction supported on a substrate which converts incident thermal energy below the semiconductor junction band gap into electrical potential. The semiconductor substrate is doped to provide a plasma filter which reflects back energy having a wavelength which is above the band gap and which is ineffectively filtered by the interference filter, through the P/N junction to the source of radiation thereby avoiding parasitic absorption of the unusable portion of the thermal radiation energy.

  1. Semiconductor-based photoelectrochemical water splitting at the limit of very wide depletion region

    SciTech Connect (OSTI)

    Liu, Mingzhao; Lyons, John L.; Yan, Danhua H.; Hybertsen, Mark S.

    2015-11-23

    In semiconductor-based photoelectrochemical (PEC) water splitting, carrier separation and delivery largely relies on the depletion region formed at the semiconductor/water interface. As a Schottky junction device, the trade-off between photon collection and minority carrier delivery remains a persistent obstacle for maximizing the performance of a water splitting photoelectrode. Here, it is demonstrated that the PEC water splitting efficiency for an n-SrTiO3 (n-STO) photoanode is improved very significantly despite its weak indirect band gap optical absorption (α < 10⁴ cm⁻¹), by widening the depletion region through engineering its doping density and profile. Graded doped n-SrTiO3 photoanodes are fabricated with their bulk heavily doped with oxygen vacancies but their surface lightly doped over a tunable depth of a few hundred nanometers, through a simple low temperature re-oxidation technique. The graded doping profile widens the depletion region to over 500 nm, thus leading to very efficient charge carrier separation and high quantum efficiency (>70%) for the weak indirect transition. As a result, this simultaneous optimization of the light absorption, minority carrier (hole) delivery, and majority carrier (electron) transport by means of a graded doping architecture may be useful for other indirect band gap photocatalysts that suffer from a similar problem of weak optical absorption.

  2. Semiconductor-based photoelectrochemical water splitting at the limit of very wide depletion region

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Liu, Mingzhao; Lyons, John L.; Yan, Danhua H.; Hybertsen, Mark S.

    2015-11-23

    In semiconductor-based photoelectrochemical (PEC) water splitting, carrier separation and delivery largely relies on the depletion region formed at the semiconductor/water interface. As a Schottky junction device, the trade-off between photon collection and minority carrier delivery remains a persistent obstacle for maximizing the performance of a water splitting photoelectrode. Here, it is demonstrated that the PEC water splitting efficiency for an n-SrTiO3 (n-STO) photoanode is improved very significantly despite its weak indirect band gap optical absorption (α < 10⁴ cm⁻¹), by widening the depletion region through engineering its doping density and profile. Graded doped n-SrTiO3 photoanodes are fabricated with their bulkmore » heavily doped with oxygen vacancies but their surface lightly doped over a tunable depth of a few hundred nanometers, through a simple low temperature re-oxidation technique. The graded doping profile widens the depletion region to over 500 nm, thus leading to very efficient charge carrier separation and high quantum efficiency (>70%) for the weak indirect transition. As a result, this simultaneous optimization of the light absorption, minority carrier (hole) delivery, and majority carrier (electron) transport by means of a graded doping architecture may be useful for other indirect band gap photocatalysts that suffer from a similar problem of weak optical absorption.« less

  3. Band gap tuning of epitaxial SrTiO{sub 3-δ}/Si(001) thin films through strain engineering

    SciTech Connect (OSTI)

    Cottier, Ryan J.; Steinle, Nathan A.; Currie, Daniel A.; Theodoropoulou, Nikoleta

    2015-11-30

    We investigate the effect of strain and oxygen vacancies (V{sub O}) on the crystal and optical properties of oxygen deficient, ultra-thin (4–30 nm) films of SrTiO{sub 3-δ} (STO) grown heteroepitaxially on p-Si(001) substrates by molecular beam epitaxy. We demonstrate that STO band gap tuning can be achieved through strain engineering and show that the energy shift of the direct energy gap transition of SrTiO{sub 3-δ}/Si films has a quantifiable dimensional and doping dependence that correlates well with the changes in crystal structure.

  4. Hot Electron Transfer from Semiconductor Nanocrystals | MIT-Harvard Center

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    for Excitonics Hot Electron Transfer from Semiconductor Nanocrystals March 30, 2010 at 3pm/36-428 William A. Tisdale Department of Chemical Engineering and Materials Science University of Minnesota tisdale_002 abstract: In conventional semiconductor solar cells, absorption of photons with energies greater than the semiconductor band gap generate "hot" charge carriers that quickly "cool" before all of their energy can be captured - a process that limits device efficiency.

  5. Switching of the photonic band gap in three-dimensional film photonic crystals based on opal-VO{sub 2} composites in the 1.3-1.6 {mu}m spectral range

    SciTech Connect (OSTI)

    Pevtsov, A. B. Grudinkin, S. A.; Poddubny, A. N.; Kaplan, S. F.; Kurdyukov, D. A.; Golubev, V. G.

    2010-12-15

    The parameters of three-dimensional photonic crystals based on opal-VO{sub 2} composite films in the 1.3-1.6 {mu}m spectral range important for practical applications (Telecom standard) are numerically calculated. For opal pores, the range of filling factors is established (0.25-0.6) wherein the composite exhibits the properties of a three-dimensional insulator photonic crystal. On the basis of the opal-VO{sub 2} composites, three-dimensional photonic film crystals are synthesized with specified parameters that provide a maximum shift of the photonic band gap in the vicinity of the wavelength {approx}1.5 {mu}m ({approx}170 meV) at the semiconductor-metal transition in VO{sub 2}.

  6. Electronic Structures, Bonding Configurations, and Band-Gap-Opening Properties of Graphene Binding with Low-Concentration Fluorine

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Duan, Yuhua; Stinespring, Charter D.; Chorpening, Benjamin

    2015-06-18

    To better understand the effects of low-level fluorine in graphene-based sensors, first-principles density functional theory (DFT) with van der Waals dispersion interactions has been employed to investigate the structure and impact of fluorine defects on the electrical properties of single-layer graphene films. The results show that both graphite-2H and graphene have zero band gaps. When fluorine bonds to a carbon atom, the carbon atom is pulled slightly above the graphene plane, creating what is referred to as a CF defect. The lowest-binding energy state is found to correspond to two CF defects on nearest neighbor sites, with one fluorine abovemore » the carbon plane and the other below the plane. Overall this has the effect of buckling the graphene. The results further show that the addition of fluorine to graphene leads to the formation of an energy band (BF) near the Fermi level, contributed mainly from the 2p orbitals of fluorine with a small contribution from the porbitals of the carbon. Among the 11 binding configurations studied, our results show that only in two cases does the BF serve as a conduction band and open a band gap of 0.37 eV and 0.24 eV respectively. The binding energy decreases with decreasing fluorine concentration due to the interaction between neighboring fluorine atoms. The obtained results are useful for sensor development and nanoelectronics.« less

  7. Analysis of photonic band gaps in two-dimensional photonic crystals with rods covered by a thin interfacial layer

    SciTech Connect (OSTI)

    Trifonov, T.; Marsal, L.F.; Pallares, J.; Rodriguez, A.; Alcubilla, R.

    2004-11-15

    We investigate different aspects of the absolute photonic band gap (PBG) formation in two-dimensional photonic structures consisting of rods covered with a thin dielectric film. Specifically, triangular and honeycomb lattices in both complementary arrangements, i.e., air rods drilled in silicon matrix and silicon rods in air, are studied. We consider that the rods are formed of a dielectric core (silicon or air) surrounded by a cladding layer of silicon dioxide (SiO{sub 2}), silicon nitride (Si{sub 3}N{sub 4}), or germanium (Ge). Such photonic lattices present absolute photonic band gaps, and we study the evolution of these gaps as functions of the cladding material and thickness. Our results show that in the case of air rods in dielectric media the existence of dielectric cladding reduces the absolute gap width and may cause complete closure of the gap if thick layers are considered. For the case of dielectric rods in air, however, the existence of a cladding layer can be advantageous and larger absolute PBG's can be achieved.

  8. Electronic Structures, Bonding Configurations, and Band-Gap-Opening Properties of Graphene Binding with Low-Concentration Fluorine

    SciTech Connect (OSTI)

    Duan, Yuhua; Stinespring, Charter D.; Chorpening, Benjamin

    2015-06-18

    To better understand the effects of low-level fluorine in graphene-based sensors, first-principles density functional theory (DFT) with van der Waals dispersion interactions has been employed to investigate the structure and impact of fluorine defects on the electrical properties of single-layer graphene films. The results show that both graphite-2H and graphene have zero band gaps. When fluorine bonds to a carbon atom, the carbon atom is pulled slightly above the graphene plane, creating what is referred to as a CF defect. The lowest-binding energy state is found to correspond to two CF defects on nearest neighbor sites, with one fluorine above the carbon plane and the other below the plane. Overall this has the effect of buckling the graphene. The results further show that the addition of fluorine to graphene leads to the formation of an energy band (BF) near the Fermi level, contributed mainly from the 2p orbitals of fluorine with a small contribution from the porbitals of the carbon. Among the 11 binding configurations studied, our results show that only in two cases does the BF serve as a conduction band and open a band gap of 0.37 eV and 0.24 eV respectively. The binding energy decreases with decreasing fluorine concentration due to the interaction between neighboring fluorine atoms. The obtained results are useful for sensor development and nanoelectronics.

  9. Numerical Simulation of the Performance Characteristics, Instability, and Effects of Band Gap Grading in Cadmium Telluride Based Photovoltaic Devices

    SciTech Connect (OSTI)

    Michael David Petersen

    2001-05-01

    Using computer simulations, the performance of several CdTe based photovoltaic structures has been studied. The advantages and disadvantages of band gap grading, through the use of (Zn,Cd)Te, have also been investigated in these structures. Grading at the front interface between a CdS window layer and a CdTe absorber layer, can arise due to interdiffusion between the materials during growth or due to the intentional variation of the material composition. This grading has been shown to improve certain performance metrics, such as the open-circuit voltage, while degrading others, such as the fill factor, depending on the amount and distance of the grading. The presence of a Schottky barrier as the back contact has also been shown to degrade the photovoltaic performance of the device, resulting in a characteristic IV curve. However, with the appropriate band gap grading at the back interface, it has been shown that the performance can be enhanced through more efficient carrier collection. These results were then correlated with experimental observations of the performance degradation in devices subjected to light and heat stress.

  10. Numerical Simulation of the Performance Characteristics, Instability, and Effects of Band Gap Grading in Cadmium Telluride Based Photovoltaic Devices

    SciTech Connect (OSTI)

    Michael David Petersen

    2001-06-27

    Using computer simulations, the performance of several CdTe based photovoltaic structures has been studied. The advantages and disadvantages of band gap grading, through the use of (Zn, Cd)Te, have also been investigated in these structures. Grading at the front interface between a CdS window layer and a CdTe absorber layer, can arise due to interdiffusion between the materials during growth or due to the intentional variation of the material composition. This grading has been shown to improve certain performance metrics, such as the open-circuit voltage, while degrading others, such as the fill factor, depending on the amount and distance of the grading. The presence of a Schottky barrier as the back contact has also been shown to degrade the photovoltaic performance of the device, resulting in a characteristic IV curve. However, with the appropriate band gap grading at the back interface, it has been shown that the performance can be enhanced through more efficient carrier collection. These results were then correlated with experimental observations of the performance degradation in devices subjected to light and heat stress.

  11. The role of the substrate on the dispersion in accumulation in III-V compound semiconductor based metal-oxide-semiconductor gate stacks

    SciTech Connect (OSTI)

    Krylov, Igor; Ritter, Dan; Eizenberg, Moshe

    2015-09-07

    Dispersion in accumulation is a widely observed phenomenon in metal-oxide-semiconductor gate stacks based on III-V compound semiconductors. The physical origin of this phenomenon is attributed to border traps located in the dielectric material adjacent to the semiconductor. Here, we study the role of the semiconductor substrate on the electrical quality of the first layers at atomic layer deposited (ALD) dielectrics. For this purpose, either Al{sub 2}O{sub 3} or HfO{sub 2} dielectrics with variable thicknesses were deposited simultaneously on two technology important semiconductors—InGaAs and InP. Significantly larger dispersion was observed in InP based gate stacks compared to those based on InGaAs. The observed difference is attributed to a higher border trap density in dielectrics deposited on InP compared to those deposited on InGaAs. We therefore conclude that the substrate plays an important role in the determination of the electrical quality of the first dielectric monolayers deposited by ALD. An additional observation is that larger dispersion was obtained in HfO{sub 2} based capacitors compared to Al{sub 2}O{sub 3} based capacitors, deposited on the same semiconductor. This phenomenon is attributed to the lower conduction band offset rather than to a higher border trap density.

  12. Band-Gap Reduction and Dopant Interaction in Epitaxial La,Cr Co-doped SrTiO3 Thin Films

    SciTech Connect (OSTI)

    Comes, Ryan B.; Sushko, Petr; Heald, Steve M.; Colby, Robert J.; Bowden, Mark E.; Chambers, Scott A.

    2014-12-03

    We show that by co-doping SrTiO3 (STO) epitaxial thin films with equal amounts of La and Cr it is possible to produce films with an optical band gap ~0.9 eV lower than that of undoped STO. Sr1-xLaxTi1-xCrxO3 thin films were deposited by molecular beam epitaxy and characterized using x-ray photoelectron spectroscopy and x-ray absorption near-edge spectroscopy to show that the Cr dopants are almost exclusively in the Cr3+ oxidation state. Extended x-ray absorption fine structure measurements and theoretical modeling suggest that it is thermodynamically preferred for La and Cr dopants to occupy nearest neighbor A- and B-sites in the lattice. Transport measurements show that the material exhibits variable-range hopping conductivity with high resistivity. These results create new opportunities for the use of doped STO films in photovoltaic and photocatalytic applications.

  13. Structural phase transition, narrow band gap, and room-temperature ferromagnetism in [KNbO{sub 3}]{sub 1?x}[BaNi{sub 1/2}Nb{sub 1/2}O{sub 3??}]{sub x} ferroelectrics

    SciTech Connect (OSTI)

    Zhou, Wenliang; Yang, Pingxiong Chu, Junhao; Deng, Hongmei

    2014-09-15

    Structural phase transition, narrow band gap (E{sub g}), and room-temperature ferromagnetism (RTFM) have been observed in the [KNbO{sub 3}]{sub 1?x}[BaNi{sub 1/2}Nb{sub 1/2}O{sub 3??}]{sub x} (KBNNO) ceramics. All the samples have single phase perovskite structure, but exhibit a gradual transition behaviour from the orthorhombic to a cubic structure with the increase of x. Raman spectroscopy analysis not only corroborates this doping-induced change in normal structure but also shows the local crystal symmetry for x ? 0.1 compositions to deviate from the idealized cubic perovskite structure. A possible mechanism for the observed specific changes in lattice structure is discussed. Moreover, it is noted that KBNNO with compositions x?=?0.10.3 have quite narrow E{sub g} of below 1.5?eV, much smaller than the 3.2?eV band gap of parent KNbO{sub 3} (KNO), which is due to the increasing Ni 3d electronic states within the gap of KNO. Furthermore, the KBNNO materials present RTFM near a tetragonal to cubic phase boundary. With increasing x from 0 to 0.3, the magnetism of the samples develops from diamagnetism to ferromagnetism and paramagnetism, originating from the ferromagneticantiferromagnetic competition. These results are helpful in the deeper understanding of phase transitions, band gap tunability, and magnetism variations in perovskite oxides and show the potential role, such materials can play, in perovskite solar cells and multiferroic applications.

  14. Physics of band-gap formation and its evolution in the pillar-based phononic crystal structures

    SciTech Connect (OSTI)

    Pourabolghasem, Reza; Mohammadi, Saeed; Eftekhar, Ali Asghar; Adibi, Ali; Khelif, Abdelkrim

    2014-07-07

    In this paper, the interplay of Bragg scattering and local resonance is theoretically studied in a phononic crystal (PnC) structure composed of a silicon membrane with periodic tungsten pillars. The comparison of phononic band gaps (PnBGs) in three different lattice types (i.e., square, triangular, and honeycomb) with different pillar geometries shows that different PnBGs have varying degrees of dependency on the lattice symmetry based on the interplay of the local resonances and the Bragg effect. The details of this interplay is discussed. The significance of locally resonating pillars, specially in the case of tall pillars, on PnBGs is discussed and verified by examining the PnBG position and width in perturbed lattices via Monte Carlo simulations. It is shown that the PnBGs caused by the local resonance of the pillars are more resilient to the lattice perturbations than those caused by Bragg scattering.

  15. Band gap estimation from temperature dependent Seebeck measurementDeviations from the 2e|S|{sub max}T{sub max} relation

    SciTech Connect (OSTI)

    Gibbs, Zachary M.; Kim, Hyun-Sik; Wang, Heng; Snyder, G. Jeffrey

    2015-01-12

    In characterizing thermoelectric materials, electrical and thermal transport measurements are often used to estimate electronic band structure properties such as the effective mass and band gap. The Goldsmid-Sharp band gap, E{sub g}?=?2e|S|{sub max}T{sub max}, is a tool widely employed to estimate the band gap from temperature dependent Seebeck coefficient measurements. However, significant deviations of more than a factor of two are now known to occur. We find that this is when either the majority-to-minority weighted mobility ratio (A) becomes very different from 1.0 or as the band gap (E{sub g}) becomes significantly smaller than 10 k{sub B}T. For narrow gaps (E{sub g}???6 k{sub B}T), the Maxwell-Boltzmann statistics applied by Goldsmid-Sharp break down and Fermi-Dirac statistics are required. We generate a chart that can be used to quickly estimate the expected correction to the Goldsmid-Sharp band gap depending on A and S{sub max}; however, additional errors can occur for S?

  16. Band-gap nonlinear optical generation: The structure of internal optical field and the structural light focusing

    SciTech Connect (OSTI)

    Zaytsev, Kirill I. Katyba, Gleb M.; Yakovlev, Egor V.; Yurchenko, Stanislav O.; Gorelik, Vladimir S.

    2014-06-07

    A novel approach for the enhancement of nonlinear optical effects inside globular photonic crystals (PCs) is proposed and systematically studied via numerical simulations. The enhanced optical harmonic generation is associated with two- and three-dimensional PC pumping with the wavelength corresponding to different PC band-gaps. The interactions between light and the PC are numerically simulated using the finite-difference time-domain technique for solving the Maxwell's equations. Both empty and infiltrated two-dimensional PC structures are considered. A significant enhancement of harmonic generation is predicted owing to the highly efficient PC pumping based on the structural light focusing effect inside the PC structure. It is shown that a highly efficient harmonic generation could be attained for both the empty and infiltrated two- and three-dimensional PCs. We are demonstrating the ability for two times enhancement of the parametric decay efficiency, one order enhancement of the second harmonic generation, and two order enhancement of the third harmonic generation in PC structures in comparison to the nonlinear generations in appropriate homogenous media. Obviously, the nonlinear processes should be allowed by the molecular symmetry. The criteria of the nonlinear process efficiency are specified and calculated as a function of pumping wavelength position towards the PC globule diameter. Obtained criterion curves exhibit oscillating characteristics, which indicates that the highly efficient generation corresponds to the various PC band-gap pumping. The highest efficiency of nonlinear conversions could be reached for PC pumping with femtosecond optical pulses; thus, the local peak intensity would be maximized. Possible applications of the observed phenomenon are also discussed.

  17. Lattice matched semiconductor growth on crystalline metallic substrates

    DOE Patents [OSTI]

    Norman, Andrew G; Ptak, Aaron J; McMahon, William E

    2013-11-05

    Methods of fabricating a semiconductor layer or device and said devices are disclosed. The methods include but are not limited to providing a metal or metal alloy substrate having a crystalline surface with a known lattice parameter (a). The methods further include growing a crystalline semiconductor alloy layer on the crystalline substrate surface by coincident site lattice matched epitaxy. The semiconductor layer may be grown without any buffer layer between the alloy and the crystalline surface of the substrate. The semiconductor alloy may be prepared to have a lattice parameter (a') that is related to the lattice parameter (a). The semiconductor alloy may further be prepared to have a selected band gap.

  18. Real-structure effects: Band gaps of Mg_xZn_{1-x}O, Cd_xZn_{1-x}O, and n-type ZnO from ab-initio calculations

    SciTech Connect (OSTI)

    Schleife, A; Bechstedt, F

    2012-02-15

    Many-body perturbation theory is applied to compute the quasiparticle electronic structures and the optical-absorption spectra (including excitonic effects) for several transparent conducting oxides. We discuss HSE+G{sub 0}W{sub 0} results for band structures, fundamental band gaps, and effective electron masses of MgO, ZnO, CdO, SnO{sub 2}, SnO, In{sub 2}O{sub 3}, and SiO{sub 2}. The Bethe-Salpeter equation is solved to account for excitonic effects in the calculation of the frequency-dependent absorption coefficients. We show that the HSE+G{sub 0}W{sub 0} approach and the solution of the Bethe-Salpeter equation are very well-suited to describe the electronic structure and the optical properties of various transparent conducting oxides in good agreement with experiment.

  19. Transient radiation hardened CMOS (complementary metal oxide semiconductor) operational amplifiers. Master's thesis

    SciTech Connect (OSTI)

    Trombley, G.J.

    1989-01-01

    General strategies are developed for designing radiation hardened bulk and silicon on insulator (SOI) complementary metal oxide semiconductor (CMOS) operational amplifiers. Comparisons are made between each technology concerning photocurrent mechanisms and the inherent advantages of SOI CMOS. Methods are presented for analysing circuit designs and minimizing the net photocurrent responses. Analysis is performed on standard operational amplifier circuits and subcircuits to demonstrate the usefulness of these methods. Radiation hardening topics discussed include superior radiation hardened topologies, photocurrent compensation and its limitations, and methods to ensure a preferred direction of photocurrent response. Several operational amplifier subcircuits are compared for their hardness characteristics. Folded cascode and three-stage operational amplifiers were fabricated on an SOI CMOS test chip supported by Texas Instruments, Incorporated. At the time of publication, the circuit operation was verified but radiation data were not yet available.

  20. Empirical determination of the energy band gap narrowing in p{sup +} silicon heavily doped with boron

    SciTech Connect (OSTI)

    Yan, Di Cuevas, Andres

    2014-11-21

    In the analysis of highly doped silicon, energy band gap narrowing (BGN) and degeneracy effects may be accounted for separately, as a net BGN in conjunction with Fermi-Dirac statistics, or lumped together in an apparent BGN used with Boltzmann statistics. This paper presents an experimental study of silicon highly doped with boron, with the aim of evaluating the applicability of previously reported BGN models. Different boron diffusions covering a broad range of dopant densities were prepared, and their characteristic recombination current parameters J{sub 0} were measured using a contactless photoconductance technique. The BGN was subsequently extracted by matching theoretical simulations of carrier transport and recombination in each of the boron diffused regions and the measured J{sub 0} values. An evaluation of two different minority carrier mobility models indicates that their impact on the extraction of the BGN is relatively small. After considering possible uncertainties, it can be concluded that the BGN is slightly larger in p{sup +} silicon than in n{sup +} silicon, in qualitative agreement with theoretical predictions by Schenk. Nevertheless, in quantitative terms that theoretical model is found to slightly underestimate the BGN in p{sup +} silicon. With the two different parameterizations derived in this paper for the BGN in p{sup +} silicon, both statistical approaches, Boltzmann and Fermi-Dirac, provide a good agreement with the experimental data.

  1. Elevated temperature dependence of energy band gap of ZnO thin films grown by e-beam deposition

    SciTech Connect (OSTI)

    Rai, R. C.; Guminiak, M.; Wilser, S.; Cai, B.; Nakarmi, M. L.

    2012-04-01

    We report the surface, structural, electronic, and optical properties of the epitaxial ZnO thin films grown on (0001) sapphire substrate at 600 deg. C by an electron-beam deposition technique. ZnO thin films have been deposited in an oxygen environment and post-deposition annealed to improve the stoichiometry and the crystal quality. In order to investigate the free exciton binding energy and the temperature dependence of the energy bandgap, we carried out variable temperature (78-450 K) transmittance measurements on ZnO thin films. The absorption data below the energy bandgap have been modeled with the Urbach tail and a free exciton, while the data above the gap have been modeled with the charge transfer excitations. The exciton binding energy is measured to be E{sub 0}= 64 {+-} 7 meV, and the energy band gaps of the ZnO film are measured to be E{sub g}-tilde 3.51 and 3.48 eV at 78 and 300 K, respectively. The temperature dependence of the energy gap has been fitted with the Varshni model to extract the fitting parameters {alpha}= 0.00020 {+-} 0.00002 eV/K, {beta}= 325 {+-} 20 K, and E{sub g} (T = 0 K) = 3.516 {+-} 0.0002 eV.

  2. Unipolar resistive switching in metal oxide/organic semiconductor non-volatile memories as a critical phenomenon

    SciTech Connect (OSTI)

    Bory, Benjamin F.; Meskers, Stefan C. J.; Rocha, Paulo R. F.; Gomes, Henrique L.; Leeuw, Dago M. de

    2015-11-28

    Diodes incorporating a bilayer of an organic semiconductor and a wide bandgap metal oxide can show unipolar, non-volatile memory behavior after electroforming. The prolonged bias voltage stress induces defects in the metal oxide with an areal density exceeding 10{sup 17 }m{sup −2}. We explain the electrical bistability by the coexistence of two thermodynamically stable phases at the interface between an organic semiconductor and metal oxide. One phase contains mainly ionized defects and has a low work function, while the other phase has mainly neutral defects and a high work function. In the diodes, domains of the phase with a low work function constitute current filaments. The phase composition and critical temperature are derived from a 2D Ising model as a function of chemical potential. The model predicts filamentary conduction exhibiting a negative differential resistance and nonvolatile memory behavior. The model is expected to be generally applicable to any bilayer system that shows unipolar resistive switching.

  3. Band gap engineering by swift heavy ions irradiation induced amorphous nano-channels in LiNbO3

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Sachan, Ritesh; Pakarinen, Olli H.; Liu, Peng; Patel, Maulik; Chisholm, Matthew F.; Zhang, Yanwen; Wang, Xuelin; Weber, William J.

    2015-04-01

    The irradiation of lithium niobate with swift heavy ions results in the creation of amorphous nano-sized channels along the incident ion path. These nano-channels are on the order of a hundred microns in length and could be useful for photonic applications. However, there are two major challenges in these nano-channels characterization; (i) it is difficult to investigate the structural characteristics of these nano-channels due to their very long length, and (ii) the analytical electron microscopic analysis of individual ion track is complicated due to electron beam sensitive nature of lithium niobate. Here, we report the first high resolution microscopic characterizationmore » of these amorphous nano-channels, widely known as ion-tracks, by direct imaging them at different depths in the material, and subsequently correlating the key characteristics with Se of ions. Energetic Kr ions (84Kr22 with 1.98 GeV energy) are used to irradiate single crystal lithium niobate with a fluence of 2x1010 ions/cm2, which results in the formation of individual ion tracks with a penetration depth of ~180 μm. Along the ion path, electron energy loss of the ions, which is responsible for creating the ion tracks, increases with depth under these conditions in LiNbO3, resulting in increases in track diameter of a factor of ~2 with depth. This diameter increase with electronic stopping power is consistent with predictions of the inelastic thermal spike model. We also show a new method to measure the band gap in individual ion track by using electron energy-loss spectroscopy.« less

  4. Structure and band gap determination of irradiation-induced amorphous nano-channels in LiNbO{sub 3}

    SciTech Connect (OSTI)

    Sachan, R. Pakarinen, O. H.; Chisholm, M. F.; Liu, P.; Patel, M. K.; Zhang, Y.; Wang, X. L.; Weber, W. J.

    2015-04-07

    The irradiation of lithium niobate with swift heavy ions results in the creation of amorphous nano-sized channels along the incident ion path. These nano-channels are on the order of a hundred microns in length and could be useful for photonic applications. However, there are two major challenges in these nano-channels characterization: (i) it is difficult to investigate the structural characteristics of these nano-channels due to their very long length and (ii) the analytical electron microscopic analysis of individual ion track is complicated due to electron beam sensitive nature of lithium niobate. Here, we report the first high resolution microscopic characterization of these amorphous nano-channels, widely known as ion-tracks, by direct imaging them at different depths in the material, and subsequently correlating the key characteristics with electronic energy loss of ions. Energetic Kr ions ({sup 84}Kr{sup 22} with 1.98?GeV energy) are used to irradiate single crystal lithium niobate with a fluence of 2 10{sup 10} ions/cm{sup 2}, which results in the formation of individual ion tracks with a penetration depth of ?180??m. Along the ion path, electron energy loss of the ions, which is responsible for creating the ion tracks, increases with depth under these conditions in LiNbO{sub 3}, resulting in increases in track diameter of a factor of ?2 with depth. This diameter increase with electronic energy loss is consistent with predictions of the inelastic thermal spike model. We also show a new method to measure the band gap in individual ion track by using electron energy-loss spectroscopy.

  5. Silicon Carbide Semiconductors | GE Global Research

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Silicon Carbide Power Semiconductor Devices in the Cleanroom Click to email this to a friend (Opens in new window) Share on Facebook (Opens in new window) Click to share (Opens in new window) Click to share on LinkedIn (Opens in new window) Click to share on Tumblr (Opens in new window) Silicon Carbide Power Semiconductor Devices in the Cleanroom Ron Olson 2012.10.04 I would like to introduce Zach Stum, the Wide Band Gap device engineer who is leading the "Next Generation SiC MOSFET"

  6. Long-term research in Japan: amorphous metals, metal oxide varistors, high-power semiconductors and superconducting generators

    SciTech Connect (OSTI)

    Hane, G.J.; Yorozu, M.; Sogabe, T.; Suzuki, S.

    1985-04-01

    The review revealed that significant activity is under way in the research of amorphous metals, but that little fundamental work is being pursued on metal oxide varistors and high-power semiconductors. Also, the investigation of long-term research program plans for superconducting generators reveals that activity is at a low level, pending the recommendations of a study currently being conducted through Japan's Central Electric Power Council.

  7. A 1 A laser driver in 0.35 {mu}m complementary metal oxide semiconductor technology for a pulsed time-of-flight laser rangefinder

    SciTech Connect (OSTI)

    Nissinen, Jan; Kostamovaara, Juha

    2009-10-15

    An integrated complementary metal oxide semiconductor (CMOS) current pulse generator is presented which achieves an ampere-scale peak current pulse with a rise time and pulse width of less than 1 and 2.5 ns (pulse width at half maximum), respectively. The generator is implemented in a 0.35 {mu}m CMOS process and consists of four parallel n-type metal oxide semiconductor transistors driven by a scaled buffer chain to achieve fast switching.

  8. Visible-light absorption and large band-gap bowing of GaN1-xSbx from first principles

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Sheetz, R. Michael; Richter, Ernst; Andriotis, Antonis N.; Lisenkov, Sergey; Pendyala, Chandrashekhar; Sunkara, Mahendra K.; Menon, Madhu

    2011-08-01

    Applicability of the Ga(Sbx)N1-x alloys for practical realization of photoelectrochemical water splitting is investigated using first-principles density functional theory incorporating the local density approximation and generalized gradient approximation plus the Hubbard U parameter formalism. Our calculations reveal that a relatively small concentration of Sb impurities is sufficient to achieve a significant narrowing of the band gap, enabling absorption of visible light. Theoretical results predict that Ga(Sbx)N1-x alloys with 2-eV band gaps straddle the potential window at moderate to low pH values, thus indicating that dilute Ga(Sbx)N1-x alloys could be potential candidates for splitting water under visible light irradiation.

  9. Visible-light absorption and large band-gap bowing of GaN1-xSbx from first principles

    SciTech Connect (OSTI)

    Sheetz, R. Michael; Richter, Ernst; Andriotis, Antonis N.; Lisenkov, Sergey; Pendyala, Chandrashekhar; Sunkara, Mahendra K.; Menon, Madhu

    2011-08-01

    Applicability of the Ga(Sbx)N1-x alloys for practical realization of photoelectrochemical water splitting is investigated using first-principles density functional theory incorporating the local density approximation and generalized gradient approximation plus the Hubbard U parameter formalism. Our calculations reveal that a relatively small concentration of Sb impurities is sufficient to achieve a significant narrowing of the band gap, enabling absorption of visible light. Theoretical results predict that Ga(Sbx)N1-x alloys with 2-eV band gaps straddle the potential window at moderate to low pH values, thus indicating that dilute Ga(Sbx)N1-x alloys could be potential candidates for splitting water under visible light irradiation.

  10. Systematic approach for simultaneously correcting the band-gap andp-dseparation errors of common cation III-V or II-VI binaries in density functional theory calculations within a local density approximation

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wang, Jianwei; Zhang, Yong; Wang, Lin-Wang

    2015-07-31

    We propose a systematic approach that can empirically correct three major errors typically found in a density functional theory (DFT) calculation within the local density approximation (LDA) simultaneously for a set of common cation binary semiconductors, such as III-V compounds, (Ga or In)X with X = N,P,As,Sb, and II-VI compounds, (Zn or Cd)X, with X = O,S,Se,Te. By correcting (1) the binary band gaps at high-symmetry points , L, X, (2) the separation of p-and d-orbital-derived valence bands, and (3) conduction band effective masses to experimental values and doing so simultaneously for common cation binaries, the resulting DFT-LDA-based quasi-first-principles methodmore » can be used to predict the electronic structure of complex materials involving multiple binaries with comparable accuracy but much less computational cost than a GW level theory. This approach provides an efficient way to evaluate the electronic structures and other material properties of complex systems, much needed for material discovery and design.« less

  11. Synthesis of cadmium telluride quantum wires and the similarity of their band gaps to those of equidiameter cadmium telluride quantum dots

    SciTech Connect (OSTI)

    Wang, Lin-Wang; Sun, Jianwei; Wang, Lin-Wang; Buhro, William E.

    2008-07-11

    High-quality colloidal CdTe quantum wires having purposefully controlled diameters in the range of 5-11 nm are grown by the solution-liquid-solid (SLS) method, using Bi-nanoparticle catalysts, cadmium octadecylphosphonate and trioctylphosphine telluride as precursors, and a TOPO solvent. The wires adopt the wurtzite structure, and grow along the [002] direction (parallel to the c axis). The size dependence of the band gaps in the wires are determined from the absorption spectra, and compared to the experimental results for high-quality CdTe quantum dots. In contrast to the predictions of an effective-mass approximation, particle-in-a-box model, and previous experimental results from CdSe and InP dot-wire comparisons, the band gaps of CdTe dots and wires of like diameter are found to be experimentally indistinguishable. The present results are analyzed using density functional theory under the local-density approximation by implementing a charge-patching method. The higher-level theoretical analysis finds the general existence of a threshold diameter, above which dot and wire band gaps converge. The origin and magnitude of this threshold diameter is discussed.

  12. Optical absorption and band gap reduction in (Fe1-xCrx)2O3 solid solutions: A first-principles study

    SciTech Connect (OSTI)

    Wang, Yong; Lopata, Kenneth A.; Chambers, Scott A.; Govind, Niranjan; Sushko, Petr V.

    2013-12-02

    We provide a detailed theoretical analysis of the character of optical transitions and band gap reduction in (Fe1-xCrx)2O3 solid solutions using extensive periodic model and embedded cluster calculations. Optical absorption bands for x = 0.0, 0.5, and 1.0 are assigned on the basis of timedependent density functional theory (TDDFT) calculations. A band-gap reduction of as much as 0.7 eV with respect to that of pure ?-Fe2O3 is found. This result can be attributed to predominantly two effects: (i) the higher valence band edge for x ? 0.5, as compared to those in pure ?-Fe2O3 and ?-Cr2O3, and, (ii) the appearance of Cr ? Fe dd transitions in the solid solutions. Broadening of the valence band due to hybridization of the O 2p states with Fe and Cr 3d states also contributes to band gap reduction.

  13. Electron states in semiconductor quantum dots

    SciTech Connect (OSTI)

    Dhayal, Suman S.; Ramaniah, Lavanya M.; Ruda, Harry E.; Nair, Selvakumar V.

    2014-11-28

    In this work, the electronic structures of quantum dots (QDs) of nine direct band gap semiconductor materials belonging to the group II-VI and III-V families are investigated, within the empirical tight-binding framework, in the effective bond orbital model. This methodology is shown to accurately describe these systems, yielding, at the same time, qualitative insights into their electronic properties. Various features of the bulk band structure such as band-gaps, band curvature, and band widths around symmetry points affect the quantum confinement of electrons and holes. These effects are identified and quantified. A comparison with experimental data yields good agreement with the calculations. These theoretical results would help quantify the optical response of QDs of these materials and provide useful input for applications.

  14. Hybrid method of making an amorphous silicon P-I-N semiconductor device

    DOE Patents [OSTI]

    Moustakas, Theodore D.; Morel, Don L.; Abeles, Benjamin

    1983-10-04

    The invention is directed to a hydrogenated amorphous silicon PIN semiconductor device of hybrid glow discharge/reactive sputtering fabrication. The hybrid fabrication method is of advantage in providing an ability to control the optical band gap of the P and N layers, resulting in increased photogeneration of charge carriers and device output.

  15. Effect of thermal annealing on structure and optical band gap of Se{sub 66}Te{sub 25}In{sub 9} thin films

    SciTech Connect (OSTI)

    Dwivedi, D. K.; Pathak, H. P.; Shukla, Nitesh; Kumar, Vipin

    2015-05-15

    Thin films of a-Se{sub 66}Te{sub 25}In{sub 9} have been deposited onto a chemically cleaned glass substrate by thermal evaporation technique under vacuum. Glassy nature of the films has been ascertained by X-ray diffraction pattern. The analysis of absorption spectra, measured at normal incidence, in the spectral range 400-1100 nm has been used for the optical characterization of thin films under investigation. The effect of thermal annealing on structure and optical band gap (E{sub g}) of a-Se{sub 66}Te{sub 25}In{sub 9} have been studied.

  16. Soft X-ray Spectroscopy Study of the Electronic Structure of Oxidized and Partially Oxidized Magnetite Nanoparticles

    SciTech Connect (OSTI)

    Gilbert, Benjamin; Katz, Jordan E.; Denlinger, Jonathan D.; Yin, Yadong; Falcone, Roger; Waychunas, Glenn A.

    2010-10-24

    The crystal structure of magnetite nanoparticles may be transformed to maghemite by complete oxidation, but under many relevant conditions the oxidation is partial, creating a mixed-valence material with structural and electronic properties that are poorly characterized. We used X-ray diffraction, Fe K-edge extended X-ray absorption fine structure (EXAFS) spectroscopy, and soft X-ray absorption and emission spectroscopy to characterize the products of oxidizing uncoated and oleic acid-coated magnetite nanoparticles in air. The oxidization of uncoated magnetite nanoparticles creates a material that is structurally and electronically indistinguishable from maghemite. By contrast, while oxidized oleic acid-coated nanoparticles are also structurally indistinguishable from maghemite, Fe L-edge spectroscopy revealed the presence of interior reduced iron sites even after a 2-year period. We used X-ray emission spectroscopy at the O K-edge to study the valence bands (VB) of the iron oxide nanoparticles, using resonant excitation to remove the contributions from oxygen atoms in the ligands and from low-energy excitations that obscured the VB edge. The bonding in all nanoparticles was typical of maghemite, with no detectable VB states introduced by the long-lived, reduced-iron sites in the oleic acid-coated sample. However, O K-edge absorption spectroscopy observed a 0.2 eV shift in the position of the lowest unoccupied states in the coated sample, indicating an increase in the semiconductor band gap relative to bulk stoichiometric maghemite that was also observed by optical absorption spectroscopy. The results show that the ferrous iron sites within ferric iron oxide nanoparticles coated by an organic ligand can persist under ambient conditions with no evidence of a distinct interior phase and can exert an effect on the global electronic and optical properties of the material. This phenomenon resembles the band gap enlargement caused by electron accumulation in the

  17. Structure and method for controlling band offset and alignment at a crystalline oxide-on-semiconductor interface

    DOE Patents [OSTI]

    McKee, Rodney A.; Walker, Frederick J.

    2003-11-25

    A crystalline oxide-on-semiconductor structure and a process for constructing the structure involves a substrate of silicon, germanium or a silicon-germanium alloy and an epitaxial thin film overlying the surface of the substrate wherein the thin film consists of a first epitaxial stratum of single atomic plane layers of an alkaline earth oxide designated generally as (AO).sub.n and a second stratum of single unit cell layers of an oxide material designated as (A'BO.sub.3).sub.m so that the multilayer film arranged upon the substrate surface is designated (AO).sub.n (A'BO.sub.3).sub.m wherein n is an integer repeat of single atomic plane layers of the alkaline earth oxide AO and m is an integer repeat of single unit cell layers of the A'BO.sub.3 oxide material. Within the multilayer film, the values of n and m have been selected to provide the structure with a desired electrical structure at the substrate/thin film interface that can be optimized to control band offset and alignment.

  18. Combinatorial Discovery and Optimization of the Composition, Doping and Morphology of New Oxide Semiconductors for Efficient Photoelectrochemical Water Splitting

    SciTech Connect (OSTI)

    Parkinson, Bruce A.; Jianghua, He

    2015-01-06

    The increasing need for carbon free energy has focused renewed attention on solar energy conversion. Although photovoltaic cells excel at directly converting of solar energy to electricity, they do not directly produce stored energy or fuels that account for more than 75% of current energy use. Direct photoelectrolysis of water has the advantage of converting solar energy directly to hydrogen, an ideal non-carbon and nonpolluting energy carrier, by replacing both a photovoltaic array and an electrolysis unit with one potentially inexpensive device. Unfortunately no materials are currently known to efficiently photoelectrolyze water that are, efficient, inexpensive and stable under illumination in electrolytes for many years. Nanostructured semiconducting metal oxides could potentially fulfill these requirements, making them the most promising materials for solar water photoelectrolysis, however no oxide semiconductor has yet been discovered with all the required properties. We have developed a simple, high-throughput combinatorial approach to prepare and screen many multi component metal oxides for water photoelectrolysis activity. The approach uses ink jet printing of overlapping patterns of soluble metal oxide precursors onto conductive glass substrates. Subsequent pyrolysis produces metal oxide phases that are screened for photoelectrolysis activity by measuring photocurrents produced by scanning a laser over the printed patterns in aqueous electrolytes. Several promising and unexpected compositions have been identified.

  19. Strain-based control of crystal anisotropy for perovskite oxides on semiconductor-based material

    DOE Patents [OSTI]

    McKee, Rodney Allen; Walker, Frederick Joseph

    2000-01-01

    A crystalline structure and a semiconductor device includes a substrate of a semiconductor-based material and a thin film of an anisotropic crystalline material epitaxially arranged upon the surface of the substrate so that the thin film couples to the underlying substrate and so that the geometries of substantially all of the unit cells of the thin film are arranged in a predisposed orientation relative to the substrate surface. The predisposition of the geometries of the unit cells of the thin film is responsible for a predisposed orientation of a directional-dependent quality, such as the dipole moment, of the unit cells. The predisposed orientation of the unit cell geometries are influenced by either a stressed or strained condition of the lattice at the interface between the thin film material and the substrate surface.

  20. Experimental and theoretical studies of band gap alignment in GaAs{sub 1?x}Bi{sub x}/GaAs quantum wells

    SciTech Connect (OSTI)

    Kudrawiec, R. Kopaczek, J.; Polak, M. P.; Scharoch, P.; Gladysiewicz, M.; Misiewicz, J.; Richards, R. D.; Bastiman, F.; David, J. P. R.

    2014-12-21

    Band gap alignment in GaAs{sub 1?x}Bi{sub x}/GaAs quantum wells (QWs) was studied experimentally by photoreflectance (PR) and theoretically, ab initio, within the density functional theory in which the supercell based calculations are combined with the alchemical mixing approximation applied to a single atom in a supercell. In PR spectra, the optical transitions related to the excited states in the QW (i.e., the transition between the second heavy-hole and the second electron subband) were clearly observed in addition to the ground state QW transition and the GaAs barrier transition. This observation is clear experimental evidence that this is a type I QW with a deep quantum confinement in the conduction and valence bands. From the comparison of PR data with calculations of optical transitions in GaAs{sub 1?x}Bi{sub x}/GaAs QW performed for various band gap alignments, the best agreement between experimental data and theoretical calculations has been found for the valence band offset of 52??5%. A very similar valence band offset was obtained from ab initio calculations. These calculations show that the incorporation of Bi atoms into GaAs host modifies both the conduction and the valence band. For GaAs{sub 1?x}Bi{sub x} with 0?band gap is parabolic and the reduction rates change from ?84 to ?53?meV per % Bi for lower and higher Bi concentrations, respectively. The calculated shifts of valence and conduction bands give the variation of valence (conduction) band offset between GaAs{sub 1?x}Bi{sub x} and GaAs in the range of ?60%40% (?40%60%), which is in good

  1. Experimental study on vertical scaling of InAs-on-insulator metal-oxide-semiconductor field-effect transistors

    SciTech Connect (OSTI)

    Kim, SangHyeon E-mail: sh-kim@kist.re.kr; Yokoyama, Masafumi; Nakane, Ryosho; Takenaka, Mitsuru; Takagi, Shinichi; Ichikawa, Osamu; Osada, Takenori; Hata, Masahiko

    2014-06-30

    We have investigated effects of the vertical scaling on electrical properties in extremely thin-body InAs-on-insulator (-OI) metal-oxide-semiconductor field-effect transistors (MOSFETs). It is found that the body thickness (T{sub body}) scaling provides better short channel effect (SCE) control, whereas the T{sub body} scaling also causes the reduction of the mobility limited by channel thickness fluctuation (δT{sub body}) scattering (μ{sub fluctuation}). Also, in order to achieve better SCEs control, the thickness of InAs channel layer (T{sub channel}) scaling is more favorable than the thickness of MOS interface buffer layer (T{sub buffer}) scaling from a viewpoint of a balance between SCEs control and μ{sub fluctuation} reduction. These results indicate necessity of quantum well channel structure in InAs-OI MOSFETs and these should be considered in future transistor design.

  2. Controlling the interface charge density in GaN-based metal-oxide-semiconductor heterostructures by plasma oxidation of metal layers

    SciTech Connect (OSTI)

    Hahn, Herwig Kalisch, Holger; Vescan, Andrei; Pécz, Béla; Kovács, András; Heuken, Michael

    2015-06-07

    In recent years, investigating and engineering the oxide-semiconductor interface in GaN-based devices has come into focus. This has been driven by a large effort to increase the gate robustness and to obtain enhancement mode transistors. Since it has been shown that deep interface states act as fixed interface charge in the typical transistor operating regime, it appears desirable to intentionally incorporate negative interface charge, and thus, to allow for a positive shift in threshold voltage of transistors to realise enhancement mode behaviour. A rather new approach to obtain such negative charge is the plasma-oxidation of thin metal layers. In this study, we present transmission electron microscopy and energy dispersive X-ray spectroscopy analysis as well as electrical data for Al-, Ti-, and Zr-based thin oxide films on a GaN-based heterostructure. It is shown that the plasma-oxidised layers have a polycrystalline morphology. An interfacial amorphous oxide layer is only detectable in the case of Zr. In addition, all films exhibit net negative charge with varying densities. The Zr layer is providing a negative interface charge density of more than 1 × 10{sup 13 }cm{sup –2} allowing to considerably shift the threshold voltage to more positive values.

  3. Heterogeneous photocatalytic oxidation of toxic organic waste waters with supported semiconductor

    SciTech Connect (OSTI)

    Renzi, C.; Mazzarino, I.; Baldi, G.

    1996-12-31

    The photocatalytic oxidation of coumaric acid by dissolved oxygen in aqueous solution was carried using supported Titania catalysts. Thin catalytic layers on inert supports were obtained by Physical Vapor Deposition. The oxidation process was performed in two experimental reactors: a small-scale batch apparatus and a pilot-size continuous photocatalytic reactor (CPR). 6 refs., 6 figs., 1 tab.

  4. Light induced instability mechanism in amorphous InGaZn oxide semiconductors

    SciTech Connect (OSTI)

    Robertson, John; Guo, Yuzheng

    2014-04-21

    A model of the negative bias illumination stress instability in InGaZn oxide is presented, based on the photo-excitation of electrons from oxygen interstitials. The O interstitials are present to compensate hydrogen donors. The O interstitials are found to spontaneously form in O-rich conditions for Fermi energies at the conduction band edge, much more easily that in related oxides. The excited electrons give rise to a persistent photoconductivity due to an energy barrier to recombination. The formation energy of the O interstitials varies with their separation from the H donors, which leads to a voltage stress dependence on the compensation.

  5. Oxide-based method of making compound semiconductor films and making related electronic devices

    DOE Patents [OSTI]

    Kapur, Vijay K.; Basol, Bulent M.; Leidholm, Craig R.; Roe, Robert A.

    2000-01-01

    A method for forming a compound film includes the steps of preparing a source material, depositing the source material on a base and forming a preparatory film from the source material, heating the preparatory film in a suitable atmosphere to form a precursor film, and providing suitable material to said precursor film to form the compound film. The source material includes oxide-containing particles including Group IB and IIIA elements. The precursor film includes non-oxide Group IB and IIIA elements. The compound film includes a Group IB-IIIA-VIA compound. The oxides may constitute greater than about 95 molar percent of the Group IB elements and greater than about 95 molar percent of the Group IIIA elements in the source material. Similarly, non-oxides may constitute greater than about 95 molar percent of the Group IB elements and greater than about 95 molar percent of the Group IIIA elements in the precursor film. The molar ratio of Group IB to Group IIIA elements in the source material may be greater than about 0.6 and less than about 1.0, or substantially greater that 1.0, in which case this ratio in the compound film may be reduced to greater than about 0.6 and less than about 1.0. The source material may be prepared as an ink from particles in powder form. The oxide-containing particles may include a dopant, as may the compound film. Compound films including a Group IIB-IVA-VA compound may be substituted using appropriate substitutions in the method. The method, also, is applicable to fabrication of solar cells and other electronic devices.

  6. Effect of proton irradiation energy on AlGaN/GaN metal-oxide semiconductor high electron mobility transistors

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ahn, S.; Dong, C.; Zhu, W.; Kim, B. -j.; Hwang, Ya-Hsi; Ren, F.; Pearton, S. J.; Yang, Gwangseok; Kim, J.; Patrick, Erin; et al

    2015-08-18

    The effects of proton irradiation energy on dc characteristics of AlGaN/GaN metal-oxide semiconductor high electron mobility transistors (MOSHEMTs) using Al2O3 as the gate dielectric were studied. Al2O3/AlGaN/GaN MOSHEMTs were irradiated with a fixed proton dose of 5 × 1015 cm-2 at different energies of 5, 10, or 15 MeV. More degradation of the device dc characteristics was observed for lower irradiation energy due to the larger amount of nonionizing energy loss in the active region of the MOSHEMTs under these conditions. The reductions in saturation current were 95.3%, 68.3%, and 59.8% and reductions in maximum transconductance were 88%, 54.4%, andmore » 40.7% after 5, 10, and 15 MeV proton irradiation, respectively. Both forward and reverse gate leakage current were reduced more than one order of magnitude after irradiation. The carrier removal rates for the irradiation energies employed in this study were in the range of 127–289 cm-1. These are similar to the values reported for conventional metal-gate high-electron mobility transistors under the same conditions and show that the gate dielectric does not affect the response to proton irradiation for these energies.« less

  7. Ultrasonic fingerprint sensor using a piezoelectric micromachined ultrasonic transducer array integrated with complementary metal oxide semiconductor electronics

    SciTech Connect (OSTI)

    Lu, Y.; Fung, S.; Wang, Q.; Horsley, D. A.; Tang, H.; Boser, B. E.; Tsai, J. M.; Daneman, M.

    2015-06-29

    This paper presents an ultrasonic fingerprint sensor based on a 24 × 8 array of 22 MHz piezoelectric micromachined ultrasonic transducers (PMUTs) with 100 μm pitch, fully integrated with 180 nm complementary metal oxide semiconductor (CMOS) circuitry through eutectic wafer bonding. Each PMUT is directly bonded to a dedicated CMOS receive amplifier, minimizing electrical parasitics and eliminating the need for through-silicon vias. The array frequency response and vibration mode-shape were characterized using laser Doppler vibrometry and verified via finite element method simulation. The array's acoustic output was measured using a hydrophone to be ∼14 kPa with a 28 V input, in reasonable agreement with predication from analytical calculation. Pulse-echo imaging of a 1D steel grating is demonstrated using electronic scanning of a 20 × 8 sub-array, resulting in 300 mV maximum received amplitude and 5:1 contrast ratio. Because the small size of this array limits the maximum image size, mechanical scanning was used to image a 2D polydimethylsiloxane fingerprint phantom (10 mm × 8 mm) at a 1.2 mm distance from the array.

  8. Electronic properties of III-nitride semiconductors: A first-principles investigation using the Tran-Blaha modified Becke-Johnson potential

    SciTech Connect (OSTI)

    Araujo, Rafael B. Almeida, J. S. de Ferreira da Silva, A.

    2013-11-14

    In this work, we use density functional theory to investigate the influence of semilocal exchange and correlation effects on the electronic properties of III-nitride semiconductors considering zinc-blende and wurtzite crystal structures. We find that the inclusion of such effects through the use of the Tran-Blaha modified Becke-Johnson potential yields an excellent description of the electronic structures of these materials giving energy band gaps which are systematically larger than the ones obtained with standard functionals such as the generalized gradient approximation. The discrepancy between the experimental and theoretical band gaps is then significantly reduced with semilocal exchange and correlation effects. However, the effective masses are overestimated in the zinc-blende nitrides, but no systematic trend is found in the wurtzite compounds. New results for energy band gaps and effective masses of zinc-blende and wurtzite indium nitrides are presented.

  9. Effect of proton irradiation dose on InAlN/GaN metal-oxide semiconductor high electron mobility transistors with Al2O3 gate oxide

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ahn, Shihyun; Kim, Byung -Jae; Lin, Yi -Hsuan; Ren, Fan; Pearton, Stephen J.; Yang, Gwangseok; Kim, Jihyun; Kravchenko, Ivan I.

    2016-07-26

    The effects of proton irradiation on the dc performance of InAlN/GaN metal-oxide-semiconductor high electron mobility transistors (MOSHEMTs) with Al2O3 as the gate oxide were investigated. The InAlN/GaN MOSHEMTs were irradiated with doses ranging from 1×1013 to 1×1015cm–2 at a fixed energy of 5MeV. There was minimal damage induced in the two dimensional electron gas at the lowest irradiation dose with no measurable increase in sheet resistance, whereas a 9.7% increase of the sheet resistance was observed at the highest irradiation dose. By sharp contrast, all irradiation doses created more severe degradation in the Ohmic metal contacts, with increases of specificmore » contact resistance from 54% to 114% over the range of doses investigated. These resulted in source-drain current–voltage decreases ranging from 96 to 242 mA/mm over this dose range. The trap density determined from temperature dependent drain current subthreshold swing measurements increased from 1.6 × 1013 cm–2 V–1 for the reference MOSHEMTs to 6.7 × 1013 cm–2 V–1 for devices irradiated with the highest dose. In conclusion, the carrier removal rate was 1287 ± 64 cm–1, higher than the authors previously observed in AlGaN/GaN MOSHEMTs for the same proton energy and consistent with the lower average bond energy of the InAlN.« less

  10. Performance analysis of boron nitride embedded armchair graphene nanoribbon metaloxidesemiconductor field effect transistor with Stone Wales defects

    SciTech Connect (OSTI)

    Chanana, Anuja; Sengupta, Amretashis; Mahapatra, Santanu

    2014-01-21

    We study the performance of a hybrid Graphene-Boron Nitride armchair nanoribbon (a-GNR-BN) n-MOSFET at its ballistic transport limit. We consider three geometric configurations 3p, 3p + 1, and 3p + 2 of a-GNR-BN with BN atoms embedded on either side (2, 4, and 6 BN) on the GNR. Material properties like band gap, effective mass, and density of states of these H-passivated structures are evaluated using the Density Functional Theory. Using these material parameters, self-consistent Poisson-Schrodinger simulations are carried out under the Non Equilibrium Green's Function formalism to calculate the ballistic n-MOSFET device characteristics. For a hybrid nanoribbon of width ?5?nm, the simulated ON current is found to be in the range of 265??A280??A with an ON/OFF ratio 7.1 10{sup 6}7.4 10{sup 6} for a V{sub DD}?=?0.68?V corresponding to 10?nm technology node. We further study the impact of randomly distributed Stone Wales (SW) defects in these hybrid structures and only 2.5% degradation of ON current is observed for SW defect density of 3.18%.

  11. Selective CO{sub 2} reduction conjugated with H{sub 2}O oxidation utilizing semiconductor/metal-complex hybrid photocatalysts

    SciTech Connect (OSTI)

    Morikawa, T. Sato, S. Arai, T. Uemura, K. Yamanaka, K. I. Suzuki, T. M. Kajino, T. Motohiro, T.

    2013-12-10

    We developed a new hybrid photocatalyst for CO{sub 2} reduction, which is composed of a semiconductor and a metal complex. In the hybrid photocatalyst, ?G between the position of conduction band minimum (E{sub CBM}) of the semiconductor and the CO{sub 2} reduction potential of the complex is an essential factor for realizing fast electron transfer from the conduction band of semiconductor to metal complex leading to high photocatalytic activity. On the basis of this concept, the hybrid photocatalyst InP/Ru-complex, which functions in aqueous media, was developed. The photoreduction of CO{sub 2} to formate using water as an electron donor and a proton source was successfully achieved as a Z-scheme system by functionally conjugating the InP/Ru-complex photocatalyst for CO{sub 2} reduction with a TiO{sub 2} photocatalyst for water oxidation. The conversion efficiency from solar energy to chemical energy was ca. 0.04%, which approaches that for photosynthesis in a plant. Because this system can be applied to many other inorganic semiconductors and metal-complex catalysts, the efficiency and reaction selectivity can be enhanced by optimization of the electron transfer process including the energy-band configurations, conjugation conformations, and catalyst structures. This electrical-bias-free reaction is a huge leap forward for future practical applications of artificial photosynthesis under solar irradiation to produce organic species.

  12. Complete photonic band gaps and tunable self-collimation in the two-dimensional plasma photonic crystals with a new structure

    SciTech Connect (OSTI)

    Zhang, Hai-Feng; Ding, Guo-Wen; Li, Hai-Ming; Liu, Shao-Bin

    2015-02-15

    In this paper, the properties of complete photonic band gaps (CPBGs) and tunable self-collimation in two-dimensional plasma photonic crystals (2D PPCs) with a new structure in square lattices, whose dielectric fillers (GaAs) are inserted into homogeneous and nomagnetized plasma background are theoretically investigated by a modified plane wave expansion (PWE) method with a novel technique. The novel PWE method can be utilized to compute the dispersion curves of 2D PPCs with arbitrary-shaped cross section in any lattices. As a comparison, CPBGs of PPCs for four different configurations are numerically calculated. The computed results show that the proposed design has the advantages of achieving the larger CPBGs compared to the other three configurations. The influences of geometric parameters of filled unit cell and plasma frequency on the properties of CPBGs are studied in detail. The calculated results demonstrate that CPBGs of the proposed 2D PPCs can be easily engineered by changing those parameters, and the larger CPBGs also can be obtained by optimization. The self-collimation in such 2D PPCs also is discussed in theory under TM wave. The theoretical simulations reveal that the self-collimation phenomena can be found in the TM bands, and both the frequency range of self-collimation and the equifrequency surface contours can be tuned by the parameters as mentioned above. It means that the frequency range and direction of electromagnetic wave can be manipulated by designing, as it propagates in the proposed PPCs without diffraction. Those results can hold promise for designing the tunable applications based on the proposed PPCs.

  13. Control of morphology and function of low band gap polymer bis-fullerene mixed heterojunctions in organic photovoltaics with selective solvent vapor annealing.

    SciTech Connect (OSTI)

    Chen, Huipeng; Hsiao, Yu-Che; Dadmun, Mark D

    2014-01-01

    Replacing PCBM with a bis-adduct fullerene (i.e. ICBA) has been reported to significantly improve the open circuit voltage (VOC) and power conversion efficiency (PCE) in P3HT bulk heterojunctions. However, for the most promising low band-gap polymer (LBP) systems, replacing PCBM with ICBA results in very poor shortcircuit current (JSC) and PCE although the VOC is significantly improved. Therefore, in this work, we have completed small angle neutron scattering and neutron reflectometry experiments to study the impact of post-deposition solvent annealing (SA) with control of solvent quality on the morphology and performance of LBP bis-fullerene BHJ photovoltaics. The results show that SA in a solvent that is selective for the LBP results in a depletion of bis-fullerene near the air surface, which limits device performance. SA in a solvent vapor which has similar solubility for polymer and bis-fullerene results in a higher degree of polymer ordering, bis-fullerene phase separation, and segregation of the bis-fullerene to the air surface, which facilitates charge transport and increases power conversion efficiency (PCE) by 100%. The highest degree of polymer ordering combined with significant bis-fullerene phase separation and segregation of bis-fullerene to the air surface is obtained by SA in a solvent vapor that is selective for the bis-fullerene. The resultant morphology increases PCE by 190%. These results indicate that solvent annealing with judicious solvent choice provides a unique tool to tune the morphology of LBP bisfullerene BHJ system, providing sufficient polymer ordering, formation of a bis-fullerene pure phase, and segregation of bis-fullerene to the air surface to optimize the morphology of the active layer. Moreover, this process is broadly applicable to improving current disappointing LBP bis-fullerene systems to optimize their morphology and OPV performance post-deposition, including higher VOC and power conversion efficiency.

  14. Control of morphology and function of low band gap polymer-bis-fullerene mixed heterojunctions in organic photovoltaics with selection solvent vapor annealing

    SciTech Connect (OSTI)

    Chen, Huipeng; Hsiao, Yu-Che; Hu, Bin; Dadmun, Mark D

    2014-01-01

    Replacing PCBM with a bis-adduct fullerene (i.e. ICBA) has been reported to significantly improve the open circuit voltage (VOC) and power conversion efficiency (PCE) in P3HT bulk heterojunctions. However, for the most promising low band-gap polymer (LBP) systems, replacing PCBM with ICBA results in very poor shortcircuit current (JSC) and PCE although the VOC is significantly improved. Therefore, in this work, we have completed small angle neutron scattering and neutron reflectometry experiments to study the impact of post-deposition solvent annealing (SA) with control of solvent quality on the morphology and performance of LBP bis-fullerene BHJ photovoltaics. The results show that SA in a solvent that is selective for the LBP results in a depletion of bis-fullerene near the air surface, which limits device performance. SA in a solvent vapor which has similar solubility for polymer and bis-fullerene results in a higher degree of polymer ordering, bis-fullerene phase separation, and segregation of the bis-fullerene to the air surface, which facilitates charge transport and increases power conversion efficiency (PCE) by 100%. The highest degree of polymer ordering combined with significant bis-fullerene phase separation and segregation of bis-fullerene to the air surface is obtained by SA in a solvent vapor that is selective for the bis-fullerene. The resultant morphology increases PCE by 190%. These results indicate that solvent annealing with judicious solvent choice provides a unique tool to tune the morphology of LBP bisfullerene BHJ system, providing sufficient polymer ordering, formation of a bis-fullerene pure phase, and segregation of bis-fullerene to the air surface to optimize the morphology of the active layer. Moreover, this process is broadly applicable to improving current disappointing LBP bis-fullerene systems to optimize their morphology and OPV performance post-deposition, including higher VOC and power conversion efficiency.

  15. Transparent ceramic photo-optical semiconductor high power switches

    DOE Patents [OSTI]

    Werne, Roger W.; Sullivan, James S.; Landingham, Richard L.

    2016-01-19

    A photoconductive semiconductor switch according to one embodiment includes a structure of sintered nanoparticles of a high band gap material exhibiting a lower electrical resistance when excited by light relative to an electrical resistance thereof when not exposed to the light. A method according to one embodiment includes creating a mixture comprising particles, at least one dopant, and at least one solvent; adding the mixture to a mold; forming a green structure in the mold; and sintering the green structure to form a transparent ceramic. Additional system, methods and products are also presented.

  16. X ray photoelectron analysis of oxide-semiconductor interface after breakdown in Al{sub 2}O{sub 3}/InGaAs stacks

    SciTech Connect (OSTI)

    Shekhter, P.; Palumbo, F.; Cohen Weinfeld, K.; Eizenberg, M.

    2014-09-08

    In this work, the post-breakdown characteristics of metal gate/Al{sub 2}O{sub 3}/InGaAs structures were studied using surface analysis by x ray photoelectron spectroscopy. The results show that for dielectric breakdown under positive bias, localized filaments consisting of oxidized substrate atoms (In, Ga and As) were formed, while following breakdown under negative bias, a decrease of oxidized substrate atoms was observed. Such differences in the microstructure at the oxide-semiconductor interface after breakdown for positive and negative voltages are explained by atomic diffusion of the contact atoms into the gate dielectric in the region of the breakdown spot by the current induced electro-migration effect. These findings show a major difference between Al{sub 2}O{sub 3}/InGaAs and SiO{sub 2}/Si interfaces, opening the way to a better understanding of the breakdown characteristics of III-V complementary-metal-oxide-semiconductor technology.

  17. Pseudo single crystal, direct-band-gap Ge{sub 0.89}Sn{sub 0.11} on amorphous dielectric layers towards monolithic 3D photonic integration

    SciTech Connect (OSTI)

    Li, Haofeng; Brouillet, Jeremy; Wang, Xiaoxin; Liu, Jifeng

    2014-11-17

    We demonstrate pseudo single crystal, direct-band-gap Ge{sub 0.89}Sn{sub 0.11} crystallized on amorphous layers at <450 °C towards 3D Si photonic integration. We developed two approaches to seed the lateral single crystal growth: (1) utilize the Gibbs-Thomson eutectic temperature depression at the tip of an amorphous GeSn nanotaper for selective nucleation; (2) laser-induced nucleation at one end of a GeSn strip. Either way, the crystallized Ge{sub 0.89}Sn{sub 0.11} is dominated by a single grain >18 μm long that forms optoelectronically benign twin boundaries with others grains. These pseudo single crystal, direct-band-gap Ge{sub 0.89}Sn{sub 0.11} patterns are suitable for monolithic 3D integration of active photonic devices on Si.

  18. Band gap tuning and orbital mediated electron–phonon coupling in HoFe{sub 1−x}Cr{sub x}O{sub 3} (0 ≤ x ≤ 1)

    SciTech Connect (OSTI)

    Kotnana, Ganesh; Jammalamadaka, S. Narayana

    2015-09-28

    We report on the evidenced orbital mediated electron–phonon coupling and band gap tuning in HoFe{sub 1−x}Cr{sub x}O{sub 3} (0 ≤ x ≤ 1) compounds. From the room temperature Raman scattering, it is apparent that the electron-phonon coupling is sensitive to the presence of both the Fe and Cr at the B-site. Essentially, an A{sub g} like local oxygen breathing mode is activated due to the charge transfer between Fe{sup 3+} and Cr{sup 3+} at around 670 cm{sup −1}, this observation is explained on the basis of Franck-Condon mechanism. Optical absorption studies infer that there exists a direct band gap in the HoFe{sub 1−x}Cr{sub x}O{sub 3} (0 ≤ x ≤ 1) compounds. Decrease in band gap until x = 0.5 is ascribed to the broadening of the oxygen p-orbitals as a result of the induced spin disorder due to Fe{sup 3+} and Cr{sup 3+} at B-site. In contrast, the increase in band gap above x = 0.5 is explained on the basis of the reduction in the available unoccupied d-orbitals of Fe{sup 3+} at the conduction band. We believe that above results would be helpful for the development of the optoelectronic devices based on the ortho-ferrites.

  19. Efficient H{sub 2} production over Au/graphene/TiO{sub 2} induced by surface plasmon resonance of Au and band-gap excitation of TiO{sub 2}

    SciTech Connect (OSTI)

    Liu, Yang; Yu, Hongtao; Wang, Hua; Chen, Shuo; Quan, Xie

    2014-11-15

    Highlights: Both surface plasmon resonance and band-gap excitation were used for H{sub 2} production. Au/Gr/TiO{sub 2} composite photocatalyst was synthesized. Au/Gr/TiO{sub 2} exhibited enhancement of light absorption and charge separation. H{sub 2} production rate of Au/Gr/TiO{sub 2} was about 2 times as high as that of Au/TiO{sub 2}. - Abstract: H{sub 2} production over Au/Gr/TiO{sub 2} composite photocatalyst induced by surface plasmon resonance of Au and band-gap excitation of TiO{sub 2} using graphene (Gr) as an electron acceptor has been investigated. Electron paramagnetic resonance study indicated that, in this composite, Gr collected electrons not only from Au with surface plasmon resonance but also from TiO{sub 2} with band-gap excitation. Surface photovoltage and UVvis absorption measurements revealed that compared with Au/TiO{sub 2}, Au/Gr/TiO{sub 2} displayed more effective photogenerated charge separation and higher optical absorption. Benefiting from these advantages, the H{sub 2} production rate of Au/Gr/TiO{sub 2} composite with Gr content of 1.0 wt% and Au content of 2.0 wt% was about 2 times as high as that of Au/TiO{sub 2}. This work represents an important step toward the efficient application of both surface plasmon resonance and band-gap excitation on the way to converting solar light into chemical energy.

  20. Systematic approach for simultaneously correcting the band-gap andp-dseparation errors of common cation III-V or II-VI binaries in density functional theory calculations within a local density approximation

    SciTech Connect (OSTI)

    Wang, Jianwei; Zhang, Yong; Wang, Lin-Wang

    2015-07-31

    We propose a systematic approach that can empirically correct three major errors typically found in a density functional theory (DFT) calculation within the local density approximation (LDA) simultaneously for a set of common cation binary semiconductors, such as III-V compounds, (Ga or In)X with X = N,P,As,Sb, and II-VI compounds, (Zn or Cd)X, with X = O,S,Se,Te. By correcting (1) the binary band gaps at high-symmetry points , L, X, (2) the separation of p-and d-orbital-derived valence bands, and (3) conduction band effective masses to experimental values and doing so simultaneously for common cation binaries, the resulting DFT-LDA-based quasi-first-principles method can be used to predict the electronic structure of complex materials involving multiple binaries with comparable accuracy but much less computational cost than a GW level theory. This approach provides an efficient way to evaluate the electronic structures and other material properties of complex systems, much needed for material discovery and design.

  1. Semiconductor assisted metal deposition for nanolithography applications

    SciTech Connect (OSTI)

    Rajh, Tijana; Meshkov, Natalia; Nedelijkovic, Jovan M.; Skubal, Laura R.; Tiede, David M.; Thurnauer, Marion

    2001-01-01

    An article of manufacture and method of forming nanoparticle sized material components. A semiconductor oxide substrate includes nanoparticles of semiconductor oxide. A modifier is deposited onto the nanoparticles, and a source of metal ions are deposited in association with the semiconductor and the modifier, the modifier enabling electronic hole scavenging and chelation of the metal ions. The metal ions and modifier are illuminated to cause reduction of the metal ions to metal onto the semiconductor nanoparticles.

  2. Semiconductor assisted metal deposition for nanolithography applications

    SciTech Connect (OSTI)

    Rajh, Tijana; Meshkov, Natalia; Nedelijkovic, Jovan M.; Skubal, Laura R.; Tiede, David M.; Thurnauer, Marion

    2002-01-01

    An article of manufacture and method of forming nanoparticle sized material components. A semiconductor oxide substrate includes nanoparticles of semiconductor oxide. A modifier is deposited onto the nanoparticles, and a source of metal ions are deposited in association with the semiconductor and the modifier, the modifier enabling electronic hole scavenging and chelation of the metal ions. The metal ions and modifier are illuminated to cause reduction of the metal ions to metal onto the semiconductor nanoparticles.

  3. An in-depth noise model for giant magnetoresistance current sensors for circuit design and complementary metaloxidesemiconductor integration

    SciTech Connect (OSTI)

    Roldn, A. Roldn, J. B.; Reig, C.; Cardoso, S.; Cardoso, F.; Ferreira, R.; Freitas, P. P.

    2014-05-07

    Full instrumentation bridges based on spin valve of giant magnetoresistance and magnetic tunnel junction devices have been microfabricated and experimentally characterized from the DC and noise viewpoint. A more realistic model of these devices was obtained in this work, an electrical and thermal model previously developed have been improved in such a way that noise effects are also included. We have implemented the model in a circuit simulator and reproduced the experimental measurements accurately. This provides a more realistic and complete tool for circuit design where magnetoresistive elements are combined with well-known complementary metaloxidesemiconductor modules.

  4. Scanning tunneling microscopy reveals LiMnAs is a room temperature anti-ferromagnetic semiconductor

    SciTech Connect (OSTI)

    Wijnheijmer, A. P.; Koenraad, P. M.; Marti, X.; Holy, V.; Cukr, M.; Novak, V.; Jungwirth, T.

    2012-03-12

    We performed scanning tunneling microscopy and spectroscopy on a LiMnAs(001) thin film epitaxially grown on an InAs(001) substrate by molecular beam epitaxy. While the in situ cleavage exposed only the InAs(110) non-polar planes, the cleavage continued into the LiMnAs thin layer across several facets. We combined both topography and current mappings to confirm that the facets correspond to LiMnAs. By spectroscopy we show that LiMnAs has a band gap. The band gap evidenced in this study, combined with the known Neel temperature well above room temperature, confirms that LiMnAs is a promising candidate for exploring the concepts of high temperature semiconductor spintronics based on antiferromagnets.

  5. Novel, band-controlled metal oxide compositions for semiconductor-mediated photocatalytic splitting of water to produce H{sub 2}

    SciTech Connect (OSTI)

    Gupta, Narendra M.

    2013-02-05

    Semiconductor-mediated photo-catalytic dissociation of water offers a unique opportunity for the production of H{sub 2}, a sustainable source of energy. More efficient and chemically stable photo-catalysts, however, remain a vital requirement for commercial viability of this process. The recent research in my group has focused on the synthesis of several new metal oxide (MO) photo-catalysts, such as: LaInO{sub 3}, GaFeO{sub 3}, InVO{sub 4}, In{sub 2}TiO{sub 5} and nanotubular TiO{sub 2}. These samples of controlled grain morphology have been synthesized by using different synthesis protocols and with and without coating of a noble metal co-catalyst. The doping of an impurity, either at cationic or at anionic lattice site, has helped in the tailoring of band structure and making these oxides visible-light-sensitive. Our study has revealed that the surface characteristics, grain morphology, band structure, and doping-induced lattice imperfections control the photo-physical properties and overall photo-catalytic water splitting activity of these metal/MO composites [1-6]. We have demonstrated that, besides promoting certain charge-transfer steps, metal-semiconductor interfaces influence the adsorption of water molecules and their subsequent interaction with photo-generated electron-hole pair at the catalyst surface. The role played by the above-mentioned micro-structural properties in photo-catalytic water splitting process will be discussed.

  6. Semiconductor films on flexible iridium substrates

    DOE Patents [OSTI]

    Goyal, Amit

    2005-03-29

    A laminate semiconductor article includes a flexible substrate, an optional biaxially textured oxide buffer system on the flexible substrate, a biaxially textured Ir-based buffer layer on the substrate or the buffer system, and an epitaxial layer of a semiconductor. Ir can serve as a substrate with an epitaxial layer of a semiconductor thereon.

  7. Electrically pumped edge-emitting photonic bandgap semiconductor laser

    DOE Patents [OSTI]

    Lin, Shawn-Yu; Zubrzycki, Walter J.

    2004-01-06

    A highly efficient, electrically pumped edge-emitting semiconductor laser based on a one- or two-dimensional photonic bandgap (PBG) structure is described. The laser optical cavity is formed using a pair of PBG mirrors operating in the photonic band gap regime. Transverse confinement is achieved by surrounding an active semiconductor layer of high refractive index with lower-index cladding layers. The cladding layers can be electrically insulating in the passive PBG mirror and waveguide regions with a small conducting aperture for efficient channeling of the injection pump current into the active region. The active layer can comprise a quantum well structure. The quantum well structure can be relaxed in the passive regions to provide efficient extraction of laser light from the active region.

  8. Semiconductor Revolution

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Energy Frontier Research Centers: Solid-State Lighting Science Center for Frontiers of ... Semiconductor Revolution HomeEnergy ResearchEFRCsSolid-State Lighting Science EFRC...

  9. Effects of local field and inherent strain in reflectance anisotropy spectra of A{sup III}B{sup V} semiconductors with naturally oxidized surfaces

    SciTech Connect (OSTI)

    Berkovits, V. L.; Kosobukin, V. A.; Gordeeva, A. B.

    2015-12-28

    Reflectance anisotropy (RA) spectra of naturally oxidized (001) surfaces of GaAs and InAs crystals are measured for photon energies from 1.5 up to 5.5 eV. The differential high-accuracy RA spectra reveal features substantially different from those caused by either a reconstruction of clean surface or a built-in near-surface electric field. Models of atomic structure with anisotropic transition layers of excess arsenic atoms specific for GaAs(001)/oxide and InAs(001)/oxide interfaces are proposed. In conformity with these models, a general theory of reflectance anisotropy is developed for semiconductor/oxide interfaces within the Green's function technique. The theory takes into account the combined effect of local field due to interface dipoles and of intrinsic near-surface strain of the crystal. Measured RA spectra are analyzed in the model of valence-bond dipoles occupying a rectangular lattice in a multilayer medium. Comparing the measured and calculated spectra, we conclude that RA spectra of oxidized GaAs(001) and InAs(001) surfaces are simultaneously influenced by interface and near-surface anisotropies. The former is responsible for the broad-band spectral features which are associated with polarizability of the valence bonds attached to As atoms at the crystal/oxide interface. The near-surface anisotropy is due to inherent uniaxial straining the near-surface region of crystal. The effect of strain on RA spectra is experimentally and theoretically substantiated for GaAs crystal wafers undergone a uniaxial applied stress. Basically, this work results in the following. It establishes the physical nature of different levels of RA spectra observed in a majority of papers, but never analyzed. It demonstrates how the studied features of RA spectra could be applied for optical characterization of strained interfaces and atomic layers.

  10. Visible-light-induced instability in amorphous metal-oxide based TFTs for transparent electronics

    SciTech Connect (OSTI)

    Ha, Tae-Jun

    2014-10-15

    We investigate the origin of visible-light-induced instability in amorphous metal-oxide based thin film transistors (oxide-TFTs) for transparent electronics by exploring the shift in threshold voltage (V{sub th}). A large hysteresis window in amorphous indium-gallium-zinc-oxide (a-IGZO) TFTs possessing large optical band-gap (≈3 eV) was observed in a visible-light illuminated condition whereas no hysteresis window was shown in a dark measuring condition. We also report the instability caused by photo irradiation and prolonged gate bias stress in oxide-TFTs. Larger V{sub th} shift was observed after photo-induced stress combined with a negative gate bias than the sum of that after only illumination stress and only negative gate bias stress. Such results can be explained by trapped charges at the interface of semiconductor/dielectric and/or in the gate dielectric which play a role in a screen effect on the electric field applied by gate voltage, for which we propose that the localized-states-assisted transitions by visible-light absorption can be responsible.

  11. The influence of electron energy quantization in a space-charge region on the accumulation capacitance of InAs metal-oxide-semiconductor capacitors

    SciTech Connect (OSTI)

    Kovchavtsev, A. P. Tsarenko, A. V.; Guzev, A. A.; Polovinkin, V. G.; Nastovjak, A. E.; Valisheva, N. A.; Aksenov, M. S.

    2015-09-28

    The influence of electron energy quantization in a space-charge region on the accumulation capacitance of the InAs-based metal-oxide-semiconductor capacitors (MOSCAPs) has been investigated by modeling and comparison with the experimental data from Au/anodic layer(4-20 nm)/n-InAs(111)A MOSCAPs. The accumulation capacitance for MOSCAPs has been calculated by the solution of Poisson equation with different assumptions and the self-consistent solution of Schrödinger and Poisson equations with quantization taken into account. It was shown that the quantization during the MOSCAPs accumulation capacitance calculations should be taken into consideration for the correct interface states density determination by Terman method and the evaluation of gate dielectric thickness from capacitance-voltage measurements.

  12. Electron small polarons and their mobility in iron (oxyhydr)oxide nanoparticles

    SciTech Connect (OSTI)

    Katz, Jordan E.; Zhang, Xiaoyi; Attenkofer, Klaus; Chapman, Karena W.; Frandsen, Cathrine; Zarzycki, Piotr P.; Rosso, Kevin M.; Falcone, Roger; Waychunas, Glenn; Gilbert, Benjamin

    2012-09-07

    Redox-active transition metal (TM) oxides, hydroxide and oxyhydroxides semiconductors typically posses wide p-d charge-transfer band gaps and exhibit poor charge carrier mobility. Nevertheless, there is increasing evidence that electron mobility within TM (oxyhydr)oxides is a crucial feature of their redox reactivity, affecting the rates of interfacial reactions, outcomes of redox-driven phase transformations and enabling charge transfer between reactions occurring at widely-separated surface sites 1,2. In order to determine the links between crystal structure and charge transport efficiency on solid-phase redox reactivity we have applied a pump-probe method to observe directly the fate of electrons introduced into ferric iron (oxyhydr)oxide nanoparticles via ultrafast interfacial electron transfer3. Time-resolved X-ray spectroscopy observes the formation of reduced and structurally distorted metal sites consistent with small polarons. By tracking the lifetime of the reduced metal states, rate constants for thermally-activated cation-to-cation electron hopping in the solid can be measured with subnanosecond accuracy. Comparisons between different phases revealed that short-range structural topology, not long-range order, dominates the electron-hopping rate, and shed new insight into the structure and properties of the naturally-formed nanomaterial, ferrihydrite4. Lattice Monte Carlo simulations revealed that, on timescales relevant to solid-phase reactions, surface charge plays a commanding role in biasing electron conduction trajectories.

  13. Influence of growth temperature on electrical, optical, and plasmonic properties of aluminum:zinc oxide films grown by radio frequency magnetron sputtering

    SciTech Connect (OSTI)

    Dondapati, Hareesh; Santiago, Kevin; Pradhan, A. K.

    2013-10-14

    We have investigated the responsible mechanism for the observation of metallic conductivity at room temperature and metal-semiconductor transition (MST) at lower temperatures for aluminum-doped zinc oxide (AZO) films. AZO films were grown on glass substrates by radio-frequency magnetron sputtering with varying substrate temperatures (T{sub s}). The films were found to be crystalline with the electrical resistivity close to 1.1 × 10{sup −3} Ω cm and transmittance more than 85% in the visible region. The saturated optical band gap of 3.76 eV was observed for the sample grown at T{sub s} of 400 °C, however, a slight decrease in the bandgap was noticed above 400 °C, which can be explained by Burstein–Moss effect. Temperature dependent resistivity measurements of these highly conducting and transparent films showed a MST at ∼110 K. The observed metal-like and metal-semiconductor transitions are explained by taking into account the Mott phase transition and localization effects due to defects. All AZO films demonstrate crossover in permittivity from positive to negative and low loss in the near-infrared region, illustrating its applications for plasmonic metamaterials, including waveguides for near infrared telecommunication region. Based on the results presented in this study, the low electrical resistivity and high optical transmittance of AZO films suggested a possibility for the application in the flexible electronic devices, such as transparent conducting oxide film on LEDs, solar cells, and touch panels.

  14. Variation in band gap of lanthanum chromate by transition metals doping LaCr{sub 0.9}A{sub 0.1}O{sub 3} (A:Fe/Co/Ni)

    SciTech Connect (OSTI)

    Naseem, Swaleha Khan, Wasi Saad, A. A. Shoeb, M. Ahmed, Hilal Naqvi, A. H.; Husain, Shahid

    2014-04-24

    Transition metal (Fe, Co, Ni) doped lanthanum chromate (LaCrO{sub 3}) nanoparticles (NPs) were prepared by gel combustion method and calcinated at 800°C. Microstructural studies were carried by XRD and SEM/EDS techniques. The results of structural characterization show the formation of all samples in single phase without any impurity. Optical properties were studied by UV- visible and photoluminescence techniques. The energy band gap was calculated and the variation was observed with the doping of transition metal ions. Photoluminescence spectra show the emission peak maxima for the pure LaCrO{sub 3} at about 315 nm. Influence of Fe, Co, Ni doping was studied and compared with pure lanthanum chromate nanoparticles.

  15. Controlled growth of semiconductor crystals

    DOE Patents [OSTI]

    Bourret-Courchesne, E.D.

    1992-07-21

    A method is disclosed for growth of III-V, II-VI and related semiconductor single crystals that suppresses random nucleation and sticking of the semiconductor melt at the crucible walls. Small pieces of an oxide of boron B[sub x]O[sub y] are dispersed throughout the comminuted solid semiconductor charge in the crucible, with the oxide of boron preferably having water content of at least 600 ppm. The crucible temperature is first raised to a temperature greater than the melt temperature T[sub m1] of the oxide of boron (T[sub m1]=723 K for boron oxide B[sub 2]O[sub 3]), and the oxide of boron is allowed to melt and form a reasonably uniform liquid layer between the crucible walls and bottom surfaces and the still-solid semiconductor charge. The temperature is then raised to approximately the melt temperature T[sub m2] of the semiconductor charge material, and crystal growth proceeds by a liquid encapsulated, vertical gradient freeze process. About half of the crystals grown have a dislocation density of less than 1000/cm[sup 2]. If the oxide of boron has water content less than 600 ppm, the crucible material should include boron nitride, a layer of the inner surface of the crucible should be oxidized before the oxide of boron in the crucible charge is melted, and the sum of thicknesses of the solid boron oxide layer and liquid boron oxide layer should be at least 50 [mu]m. 7 figs.

  16. Controlled growth of semiconductor crystals

    DOE Patents [OSTI]

    Bourret-Courchesne, Edith D.

    1992-01-01

    A method for growth of III-V, II-VI and related semiconductor single crystals that suppresses random nucleation and sticking of the semiconductor melt at the crucible walls. Small pieces of an oxide of boron B.sub.x O.sub.y are dispersed throughout the comminuted solid semiconductor charge in the crucible, with the oxide of boron preferably having water content of at least 600 ppm. The crucible temperature is first raised to a temperature greater than the melt temperature T.sub.m1 of the oxide of boron (T.sub.m1 =723.degree. K. for boron oxide B.sub.2 O.sub.3), and the oxide of boron is allowed to melt and form a reasonably uniform liquid layer between the crucible walls and bottom surfaces and the still-solid semiconductor charge. The temperature is then raised to approximately the melt temperature T.sub.m2 of the semiconductor charge material, and crystal growth proceeds by a liquid encapsulated, vertical gradient freeze process. About half of the crystals grown have a dislocation density of less than 1000/cm.sup.2. If the oxide of boron has water content less than 600 ppm, the crucible material should include boron nitride, a layer of the inner surface of the crucible should be oxidized before the oxide of boron in the crucible charge is melted, and the sum of thicknesses of the solid boron oxide layer and liquid boron oxide layer should be at least 50 .mu.m.

  17. Variable temperature semiconductor film deposition

    DOE Patents [OSTI]

    Li, Xiaonan; Sheldon, Peter

    1998-01-01

    A method of depositing a semiconductor material on a substrate. The method sequentially comprises (a) providing the semiconductor material in a depositable state such as a vapor for deposition on the substrate; (b) depositing the semiconductor material on the substrate while heating the substrate to a first temperature sufficient to cause the semiconductor material to form a first film layer having a first grain size; (c) continually depositing the semiconductor material on the substrate while cooling the substrate to a second temperature sufficient to cause the semiconductor material to form a second film layer deposited on the first film layer and having a second grain size smaller than the first grain size; and (d) raising the substrate temperature, while either continuing or not continuing to deposit semiconductor material to form a third film layer, to thereby anneal the film layers into a single layer having favorable efficiency characteristics in photovoltaic applications. A preferred semiconductor material is cadmium telluride deposited on a glass/tin oxide substrate already having thereon a film layer of cadmium sulfide.

  18. Variable temperature semiconductor film deposition

    DOE Patents [OSTI]

    Li, X.; Sheldon, P.

    1998-01-27

    A method of depositing a semiconductor material on a substrate is disclosed. The method sequentially comprises (a) providing the semiconductor material in a depositable state such as a vapor for deposition on the substrate; (b) depositing the semiconductor material on the substrate while heating the substrate to a first temperature sufficient to cause the semiconductor material to form a first film layer having a first grain size; (c) continually depositing the semiconductor material on the substrate while cooling the substrate to a second temperature sufficient to cause the semiconductor material to form a second film layer deposited on the first film layer and having a second grain size smaller than the first grain size; and (d) raising the substrate temperature, while either continuing or not continuing to deposit semiconductor material to form a third film layer, to thereby anneal the film layers into a single layer having favorable efficiency characteristics in photovoltaic applications. A preferred semiconductor material is cadmium telluride deposited on a glass/tin oxide substrate already having thereon a film layer of cadmium sulfide.

  19. Ultrathin body GaSb-on-insulator p-channel metal-oxide-semiconductor field-effect transistors on Si fabricated by direct wafer bonding

    SciTech Connect (OSTI)

    Yokoyama, Masafumi Takenaka, Mitsuru; Takagi, Shinichi; Yokoyama, Haruki

    2015-02-16

    We have realized ultrathin body GaSb-on-insulator (GaSb-OI) on Si wafers by direct wafer bonding technology using atomic-layer deposition (ALD) Al{sub 2}O{sub 3} and have demonstrated GaSb-OI p-channel metal-oxide-semiconductor field-effect transistors (p-MOSFETs) on Si. A 23-nm-thick GaSb-OI p-MOSFET exhibits the peak effective mobility of ∼76 cm{sup 2}/V s. We have found that the effective hole mobility of the thin-body GaSb-OI p-MOSFETs decreases with a decrease in the GaSb-OI thickness or with an increase in Al{sub 2}O{sub 3} ALD temperature. The InAs passivation of GaSb-OI MOS interfaces can enhance the peak effective mobility up to 159 cm{sup 2}/V s for GaSb-OI p-MOSFETs with the 20-nm-thick GaSb layer.

  20. Physical understanding of electron mobility in asymmetrically strained InGaAs-on-insulator metal-oxide-semiconductor field-effect transistors fabricated by lateral strain relaxation

    SciTech Connect (OSTI)

    Kim, SangHyeon E-mail: sh-kim@kist.re.kr; Yokoyama, Masafumi; Ikku, Yuki; Nakane, Ryosho; Takenaka, Mitsuru; Takagi, Shinichi; Ichikawa, Osamu; Osada, Takenori; Hata, Masahiko

    2014-03-17

    In this paper, we fabricated asymmetrically tensile-strained In{sub 0.53}Ga{sub 0.47}As-on-insulator (-OI) metal-oxide-semiconductor field-effect transistors (MOSFETs) using a lateral strain relaxation technique. A stripe-like line structure, fabricated in biaxially strained In{sub 0.53}Ga{sub 0.47}As-OI can lead to the lateral strain relaxation and asymmetric strain configuration in In{sub 0.53}Ga{sub 0.47}As-OI with the channel width of 100 nm. We have found that the effective mobility (μ{sub eff}) enhancement in In{sub 0.53}Ga{sub 0.47}As-OI MOSFETs with uniaxial-like asymmetric strain becomes smaller than that in In{sub 0.53}Ga{sub 0.47}As-OI MOSFETs with biaxial strain. We have clarified from a systematic analysis between the strain values and the μ{sub eff} characteristics that this mobility behavior can be understood by the change of the energy level of the conduction band minimum due to the lateral strain relaxation.

  1. Temperature dependence of frequency dispersion in III–V metal-oxide-semiconductor C-V and the capture/emission process of border traps

    SciTech Connect (OSTI)

    Vais, Abhitosh Martens, Koen; DeMeyer, Kristin; Lin, Han-Chung; Ivanov, Tsvetan; Collaert, Nadine; Thean, Aaron; Dou, Chunmeng; Xie, Qi; Maes, Jan; Tang, Fu; Givens, Michael; Raskin, Jean-Pierre

    2015-08-03

    This paper presents a detailed investigation of the temperature dependence of frequency dispersion observed in capacitance-voltage (C-V) measurements of III-V metal-oxide-semiconductor (MOS) devices. The dispersion in the accumulation region of the capacitance data is found to change from 4%–9% (per decade frequency) to ∼0% when the temperature is reduced from 300 K to 4 K in a wide range of MOS capacitors with different gate dielectrics and III-V substrates. We show that such significant temperature dependence of C-V frequency dispersion cannot be due to the temperature dependence of channel electrostatics, i.e., carrier density and surface potential. We also show that the temperature dependence of frequency dispersion, and hence, the capture/emission process of border traps can be modeled by a combination of tunneling and a “temperature-activated” process described by a non-radiative multi-phonon model, instead of a widely believed single-step elastic tunneling process.

  2. Note: A disposable x-ray camera based on mass produced complementary metal-oxide-semiconductor sensors and single-board computers

    SciTech Connect (OSTI)

    Hoidn, Oliver R.; Seidler, Gerald T.

    2015-08-15

    We have integrated mass-produced commercial complementary metal-oxide-semiconductor (CMOS) image sensors and off-the-shelf single-board computers into an x-ray camera platform optimized for acquisition of x-ray spectra and radiographs at energies of 2–6 keV. The CMOS sensor and single-board computer are complemented by custom mounting and interface hardware that can be easily acquired from rapid prototyping services. For single-pixel detection events, i.e., events where the deposited energy from one photon is substantially localized in a single pixel, we establish ∼20% quantum efficiency at 2.6 keV with ∼190 eV resolution and a 100 kHz maximum detection rate. The detector platform’s useful intrinsic energy resolution, 5-μm pixel size, ease of use, and obvious potential for parallelization make it a promising candidate for many applications at synchrotron facilities, in laser-heating plasma physics studies, and in laboratory-based x-ray spectrometry.

  3. Determination of active doping in highly resistive boron doped silicon nanocrystals embedded in SiO{sub 2} by capacitance voltage measurement on inverted metal oxide semiconductor structure

    SciTech Connect (OSTI)

    Zhang, Tian Puthen-Veettil, Binesh; Wu, Lingfeng; Jia, Xuguang; Lin, Ziyun; Yang, Terry Chien-Jen; Conibeer, Gavin; Perez-Wurfl, Ivan

    2015-10-21

    We investigate the Capacitance-Voltage (CV) measurement to study the electrically active boron doping in Si nanocrystals (ncSi) embedded in SiO{sub 2}. The ncSi thin films with high resistivity (200–400 Ω cm) can be measured by using an inverted metal oxide semiconductor (MOS) structure (Al/ncSi (B)/SiO{sub 2}/Si). This device structure eliminates the complications from the effects of lateral current flow and the high sheet resistance in standard lateral MOS structures. The characteristic MOS CV curves observed are consistent with the effective p-type doping. The CV modeling method is presented and used to evaluate the electrically active doping concentration. We find that the highly boron doped ncSi films have electrically active doping of 10{sup 18}–10{sup 19 }cm{sup −3} despite their high resistivity. The saturation of doping at about 1.4 × 10{sup 19 }cm{sup −3} and the low doping efficiency less than 5% are observed and discussed. The calculated effective mobility is in the order of 10{sup −3} cm{sup 2}/V s, indicating strong impurity/defect scattering effect that hinders carriers transport.

  4. Semiconductor Revolution

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Semiconductor Revolution - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Energy Defense Waste Management Programs Advanced

  5. Hydrogen local vibrational modes in semiconductors

    SciTech Connect (OSTI)

    McCluskey, M D

    1997-06-01

    Following, a review of experimental techniques, theory, and previous work, the results of local vibrational mode (LVM) spectroscopy on hydrogen-related complexes in several different semiconductors are discussed. Hydrogen is introduced either by annealing in a hydrogen ambient. exposure to a hydrogen plasma, or during growth. The hydrogen passivates donors and acceptors in semiconductors, forming neutral complexes. When deuterium is substituted for hydrogen. the frequency of the LVM decreases by approximately the square root of two. By varying the temperature and pressure of the samples, the microscopic structures of hydrogen-related complexes are determined. For group II acceptor-hydrogen complexes in GaAs, InP, and GaP, hydrogen binds to the host anion in a bond-centered orientation, along the [111] direction, adjacent to the acceptor. The temperature dependent shift of the LVMs are proportional to the lattice thermal energy U(T), a consequence of anharmonic coupling between the LVM and acoustical phonons. In the wide band gap semiconductor ZnSe, epilayers grown by metalorganic chemical vapor phase epitaxy (MOCVD) and doped with As form As-H complexes. The hydrogen assumes a bond-centered orientation, adjacent to a host Zn. In AlSb, the DX centers Se and Te are passivated by hydrogen. The second, third, and fourth harmonics of the wag modes are observed. Although the Se-D complex has only one stretch mode, the Se-H stretch mode splits into three peaks. The anomalous splitting is explained by a new interaction between the stretch LVM and multi-phonon modes of the lattice. As the temperature or pressure is varied, and anti-crossing is observed between LVM and phonon modes.

  6. A Sensor System Based on Semi-Conductor Metal Oxide Technology for In Situ Detection of Coal Fired Combustion Gases

    SciTech Connect (OSTI)

    Brent Marquis

    2007-05-31

    Sensor Research and Development Corporation (SRD) proposed a two-phase program to develop a robust, autonomous prototype analyzer for in situ, real-time detection, identification, and measurement of coal-fired combustion gases and perform field-testing at an approved power generation facility. SRD developed and selected sensor materials showing selective responses to carbon monoxide, carbon dioxide, nitric oxide, nitrogen dioxide, ammonia, sulfur dioxide and hydrogen chloride. Sensor support electronics were also developed to enable prototype to function in elevated temperatures without any issues. Field-testing at DOE approved facility showed the ability of the prototype to detect and estimate the concentration of combustion by-products accurately with relatively low false-alarm rates at very fast sampling intervals.

  7. Structure of β-AgGaO{sub 2}; ternary I–III–VI{sub 2} oxide semiconductor with a wurtzite-derived structure

    SciTech Connect (OSTI)

    Nagatani, Hiraku; Suzuki, Issei; Kita, Masao; Tanaka, Masahiko; Katsuya, Yoshio; Sakata, Osami; Omata, Takahisa

    2015-02-15

    The structure of the wurtzite-derived β-AgGaO{sub 2} was refined by Rietveld analysis of high-resolution powder diffraction data obtained using synchrotron X-ray radiation. The space group of the crystal is Pna2{sub 1} with lattice parameters of a{sub 0}=5.56175 Å, b{sub 0}=7.14749 Å, and c{sub 0}=5.46875 Å. The deviation of O–Ag–O and M–O–M bond angles from the regular tetrahedral angle of 109.5° was very large at ∼8° and ∼11°, respectively. The electronic structure of β-AgGaO{sub 2} is discussed based on its structure, and the indirect band gap of β-AgGaO{sub 2} was related to significant tetrahedral distortion. Although β-AgGaO{sub 2} decomposes into metallic silver and Ga{sub 2}O{sub 3} at a high temperature in any atmosphere, β-AgGaO{sub 2} is stable up to 690 °C under an O{sub 2} atmosphere. No direct transformation from the wurtzite-derived phase to a delafossite phase occurs in β-AgGaO{sub 2}. - Graphical abstract: Crystal structure of β-AgGaO{sub 2} was refined by Rietveld analysis. AgO{sub 4} and O(Ag,Ga){sub 4} tetrahedra are significantly distorted from ideal tetrahedron. - Highlights: • Orthorhombic β-AgGaO{sub 2} with a wurtzite-derived β-NaFeO{sub 2} structure was synthesized. • Its structure was refined by Rietveld analysis of high-resolution XRD data. • Silver and oxygen tetrahedra are significantly distorted from an ideal tetrahedron. • The extent of this tetrahedral distortion is related to the band gap nature. • β-AgGaO{sub 2} is a metastable phase but is stable up to 690 °C in an O{sub 2} atmosphere.

  8. Studies of the Atomic and Crystalline Characteristics of Ceramic Oxide Nano Powders after Bio field Treatment

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Article Open Access Industrial Engineering & Management Trivedi et al., Ind Eng Manage 2015, 4:3 http://dx.doi.org/10.4172/2169-0316.1000161 Volume 4 * Issue 3 * 1000161 Ind Eng Manage ISSN: 2169-0316, IEM an open access journal Keywords: Biofield treatment; Iron oxide; Copper oxide; Zinc oxide; X-ray diffraction; FT-IR Introduction Transition metal oxides (TMOs) exhibit fascinating properties such as piezoelectricity, ferroelectricity, nonlinear optical behaviour, wide band gap and high-TC

  9. Comparing Multiple Exciton Generation in Quantum Dots To Impact Ionization in Bulk Semiconductors: Implications for Enhancement of Solar Energy Conversion

    SciTech Connect (OSTI)

    Beard, Matthew C.; Midgett, Aaron G.; Hanna, Mark C.; Luther, Joseph M.; Hughes, Barbara K.; Nozik, Arthur J.

    2010-07-26

    Multiple exciton generation (MEG) in quantum dots (QDs) and impact ionization (II) in bulk semiconductors are processes that describe producing more than one electron-hole pair per absorbed photon. We derive expressions for the proper way to compare MEG in QDs with II in bulk semiconductors and argue that there are important differences in the photophysics between bulk semiconductors and QDs. Our analysis demonstrates that the fundamental unit of energy required to produce each electron-hole pair in a given QD is the band gap energy. We find that the efficiency of the multiplication process increases by at least 2 in PbSe QDs compared to bulk PbSe, while the competition between cooling and multiplication favors multiplication by a factor of 3 in QDs. We also demonstrate that power conversion efficiencies in QD solar cells exhibiting MEG can greatly exceed conversion efficiencies of their bulk counterparts, especially if the MEG threshold energy can be reduced toward twice the QD band gap energy, which requires a further increase in the MEG efficiency. Finally, we discuss the research challenges associated with achieving the maximum benefit of MEG in solar energy conversion since we show the threshold and efficiency are mathematically related.

  10. Sample size requirements for estimating effective dose from computed tomography using solid-state metal-oxide-semiconductor field-effect transistor dosimetry

    SciTech Connect (OSTI)

    Trattner, Sigal; Cheng, Bin; Pieniazek, Radoslaw L.; Hoffmann, Udo; Douglas, Pamela S.; Einstein, Andrew J.

    2014-04-15

    Purpose: Effective dose (ED) is a widely used metric for comparing ionizing radiation burden between different imaging modalities, scanners, and scan protocols. In computed tomography (CT), ED can be estimated by performing scans on an anthropomorphic phantom in which metal-oxide-semiconductor field-effect transistor (MOSFET) solid-state dosimeters have been placed to enable organ dose measurements. Here a statistical framework is established to determine the sample size (number of scans) needed for estimating ED to a desired precision and confidence, for a particular scanner and scan protocol, subject to practical limitations. Methods: The statistical scheme involves solving equations which minimize the sample size required for estimating ED to desired precision and confidence. It is subject to a constrained variation of the estimated ED and solved using the Lagrange multiplier method. The scheme incorporates measurement variation introduced both by MOSFET calibration, and by variation in MOSFET readings between repeated CT scans. Sample size requirements are illustrated on cardiac, chest, and abdomenpelvis CT scans performed on a 320-row scanner and chest CT performed on a 16-row scanner. Results: Sample sizes for estimating ED vary considerably between scanners and protocols. Sample size increases as the required precision or confidence is higher and also as the anticipated ED is lower. For example, for a helical chest protocol, for 95% confidence and 5% precision for the ED, 30 measurements are required on the 320-row scanner and 11 on the 16-row scanner when the anticipated ED is 4 mSv; these sample sizes are 5 and 2, respectively, when the anticipated ED is 10 mSv. Conclusions: Applying the suggested scheme, it was found that even at modest sample sizes, it is feasible to estimate ED with high precision and a high degree of confidence. As CT technology develops enabling ED to be lowered, more MOSFET measurements are needed to estimate ED with the same

  11. Transition Metal Oxide Alloys as Potential Solar Energy Conversion Materials

    SciTech Connect (OSTI)

    Toroker, Maytal; Carter, Emily A.

    2013-02-21

    First-row transition metal oxides (TMOs) are inexpensive potentia alternative materials for solar energy conversion devices. However, some TMOs, such as manganese(II) oxide, have band gaps that are too large for efficiently absorbing solar energy. Other TMOs, such as iron(II) oxide, have conduction and valence band edges with the same orbital character that may lead to unfavorably high electronhole recombination rates. Another limitation of iron(II) oxide is that the calculated valence band edge is not positioned well for oxidizing water. We predict that key properties, including band gaps, band edge positions, and possibly electronhole recombination rates, may be improved by alloying TMOs that have different band alignments. A new metric, the band gap center offset, is introduced for simple screening of potential parent materials. The concept is illustrated by calculating the electronic structure of binary oxide alloys that contain manganese, nickel, iron, zinc, and/or magnesium, within density functional theory (DFT)+U and hybrid DFT theories. We conclude that alloys of iron(II) oxide are worth evaluating further as solar energy conversion materials.

  12. L-asparagine crystals with wide gap semiconductor features: Optical absorption measurements and density functional theory computations

    SciTech Connect (OSTI)

    Zanatta, G.; Gottfried, C.; Silva, A. M.; Caetano, E. W. S.; Sales, F. A. M.; Freire, V. N.

    2014-03-28

    Results of optical absorption measurements are presented together with calculated structural, electronic, and optical properties for the anhydrous monoclinic L-asparagine crystal. Density functional theory (DFT) within the generalized gradient approximation (GGA) including dispersion effects (TS, Grimme) was employed to perform the calculations. The optical absorption measurements revealed that the anhydrous monoclinic L-asparagine crystal is a wide band gap material with 4.95 eV main gap energy. DFT-GGA+TS simulations, on the other hand, produced structural parameters in very good agreement with X-ray data. The lattice parameter differences ?a, ?b, ?c between theory and experiment were as small as 0.020, 0.051, and 0.022, respectively. The calculated band gap energy is smaller than the experimental data by about 15%, with a 4.23 eV indirect band gap corresponding to Z???? and Z???? transitions. Three other indirect band gaps of 4.30 eV, 4.32 eV, and 4.36 eV are assigned to ?3 ???, ?1 ???, and ?2 ??? transitions, respectively. ?-sol computations, on the other hand, predict a main band gap of 5.00 eV, just 50 meV above the experimental value. Electronic wavefunctions mainly originating from O 2pcarboxyl, C 2pside chain, and C 2pcarboxyl orbitals contribute most significantly to the highest valence and lowest conduction energy bands, respectively. By varying the lattice parameters from their converged equilibrium values, we show that the unit cell is less stiff along the b direction than for the a and c directions. Effective mass calculations suggest that hole transport behavior is more anisotropic than electron transport, but the mass values allow for some charge mobility except along a direction perpendicular to the molecular layers of L-asparagine which form the crystal, so anhydrous monoclinic L-asparagine crystals could behave as wide gap semiconductors. Finally, the calculations point to a high degree of optical anisotropy for the absorption and complex

  13. Lattice matched crystalline substrates for cubic nitride semiconductor growth

    DOE Patents [OSTI]

    Norman, Andrew G; Ptak, Aaron J; McMahon, William E

    2015-02-24

    Disclosed embodiments include methods of fabricating a semiconductor layer or device and devices fabricated thereby. The methods include, but are not limited to, providing a substrate having a cubic crystalline surface with a known lattice parameter and growing a cubic crystalline group III-nitride alloy layer on the cubic crystalline substrate by coincident site lattice matched epitaxy. The cubic crystalline group III-nitride alloy may be prepared to have a lattice parameter (a') that is related to the lattice parameter of the substrate (a). The group III-nitride alloy may be a cubic crystalline In.sub.xGa.sub.yAl.sub.1-x-yN alloy. The lattice parameter of the In.sub.xGa.sub.yAl.sub.1-x-yN or other group III-nitride alloy may be related to the substrate lattice parameter by (a')= 2(a) or (a')=(a)/ 2. The semiconductor alloy may be prepared to have a selected band gap.

  14. Optical temperature sensor using thermochromic semiconductors

    DOE Patents [OSTI]

    Kronberg, J.W.

    1998-06-30

    An optical temperature measuring device utilizes thermochromic semiconductors which vary in color in response to changes in temperature. The thermochromic material is sealed in a glass matrix which allows the temperature sensor to detect high temperatures without breakdown. Cuprous oxide and cadmium sulfide are among the semiconductor materials which provide the best results. The changes in color may be detected visually using a sensor chip and an accompanying color card. 8 figs.

  15. Optical temperature sensor using thermochromic semiconductors

    DOE Patents [OSTI]

    Kronberg, James W.

    1996-01-01

    An optical temperature measuring device utilizes thermochromic semiconductors which vary in color in response to changes in temperature. The thermochromic material is sealed in a glass matrix which allows the temperature sensor to detect high temperatures without breakdown. Cuprous oxide and cadmium sulfide are among the semiconductor materials which provide the best results. The changes in color may be detected visually or by utilizing an optical fiber and an electrical sensing circuit.

  16. Optical temperature sensor using thermochromic semiconductors

    DOE Patents [OSTI]

    Kronberg, J.W.

    1996-08-20

    An optical temperature measuring device utilizes thermochromic semiconductors which vary in color in response to changes in temperature. The thermochromic material is sealed in a glass matrix which allows the temperature sensor to detect high temperatures without breakdown. Cuprous oxide and cadmium sulfide are among the semiconductor materials which provide the best results. The changes in color may be detected visually or by utilizing an optical fiber and an electrical sensing circuit. 7 figs.

  17. Optical temperature sensor using thermochromic semiconductors

    DOE Patents [OSTI]

    Kronberg, James W.

    1998-01-01

    An optical temperature measuring device utilizes thermochromic semiconductors which vary in color in response to changes in temperature. The thermochromic material is sealed in a glass matrix which allows the temperature sensor to detect high temperatures without breakdown. Cuprous oxide and cadmium sulfide are among the semiconductor materials which provide the best results. The changes in color may be detected visually using a sensor chip and an accompanying color card.

  18. Stable surface passivation process for compound semiconductors

    DOE Patents [OSTI]

    Ashby, Carol I. H.

    2001-01-01

    A passivation process for a previously sulfided, selenided or tellurated III-V compound semiconductor surface. The concentration of undesired mid-gap surface states on a compound semiconductor surface is reduced by the formation of a near-monolayer of metal-(sulfur and/or selenium and/or tellurium)-semiconductor that is effective for long term passivation of the underlying semiconductor surface. Starting with the III-V compound semiconductor surface, any oxidation present thereon is substantially removed and the surface is then treated with sulfur, selenium or tellurium to form a near-monolayer of chalcogen-semiconductor of the surface in an oxygen-free atmosphere. This chalcogenated surface is then contacted with a solution of a metal that will form a low solubility chalcogenide to form a near-monolayer of metal-chalcogen-semiconductor. The resulting passivating layer provides long term protection for the underlying surface at or above the level achieved by a freshly chalcogenated compound semiconductor surface in an oxygen free atmosphere.

  19. Electron-electron scattering-induced channel hot electron injection in nanoscale n-channel metal-oxide-semiconductor field-effect-transistors with high-k/metal gate stacks

    SciTech Connect (OSTI)

    Tsai, Jyun-Yu; Liu, Kuan-Ju; Lu, Ying-Hsin; Liu, Xi-Wen; Chang, Ting-Chang; Chen, Ching-En; Ho, Szu-Han; Tseng, Tseung-Yuen; Cheng, Osbert; Huang, Cheng-Tung; Lu, Ching-Sen

    2014-10-06

    This work investigates electron-electron scattering (EES)-induced channel hot electron (CHE) injection in nanoscale n-channel metal-oxide-semiconductor field-effect-transistors (n-MOSFETs) with high-k/metal gate stacks. Many groups have proposed new models (i.e., single-particle and multiple-particle process) to well explain the hot carrier degradation in nanoscale devices and all mechanisms focused on Si-H bond dissociation at the Si/SiO{sub 2} interface. However, for high-k dielectric devices, experiment results show that the channel hot carrier trapping in the pre-existing high-k bulk defects is the main degradation mechanism. Therefore, we propose a model of EES-induced CHE injection to illustrate the trapping-dominant mechanism in nanoscale n-MOSFETs with high-k/metal gate stacks.

  20. Mixed semiconductor nanocrystal compositions

    DOE Patents [OSTI]

    Maskaly, Garry R.; Schaller, Richard D.; Klimov, Victor I.

    2011-02-15

    Composition comprising one or more energy donors and one or more energy acceptors, wherein energy is transferred from the energy donor to the energy acceptor and wherein: the energy acceptor is a colloidal nanocrystal having a lower band gap energy than the energy donor; the energy donor and the energy acceptor are separated by a distance of 40 nm or less; wherein the average peak absorption energy of the acceptor is at least 20 meV greater than the average peak emission energy of the energy donor; and wherein the ratio of the number of energy donors to the number of energy acceptors is from about 2:1 to about 1000:1.

  1. Unitary lens semiconductor device

    DOE Patents [OSTI]

    Lear, K.L.

    1997-05-27

    A unitary lens semiconductor device and method are disclosed. The unitary lens semiconductor device is provided with at least one semiconductor layer having a composition varying in the growth direction for unitarily forming one or more lenses in the semiconductor layer. Unitary lens semiconductor devices may be formed as light-processing devices such as microlenses, and as light-active devices such as light-emitting diodes, photodetectors, resonant-cavity light-emitting diodes, vertical-cavity surface-emitting lasers, and resonant cavity photodetectors. 9 figs.

  2. Unitary lens semiconductor device

    DOE Patents [OSTI]

    Lear, Kevin L.

    1997-01-01

    A unitary lens semiconductor device and method. The unitary lens semiconductor device is provided with at least one semiconductor layer having a composition varying in the growth direction for unitarily forming one or more lenses in the semiconductor layer. Unitary lens semiconductor devices may be formed as light-processing devices such as microlenses, and as light-active devices such as light-emitting diodes, photodetectors, resonant-cavity light-emitting diodes, vertical-cavity surface-emitting lasers, and resonant cavity photodetectors.

  3. A tunable amorphous p-type ternary oxide system: The highly mismatched alloy of copper tin oxide

    SciTech Connect (OSTI)

    Isherwood, Patrick J. M. Walls, John M.; Butler, Keith T.; Walsh, Aron

    2015-09-14

    The approach of combining two mismatched materials to form an amorphous alloy was used to synthesise ternary oxides of CuO and SnO{sub 2}. These materials were analysed across a range of compositions, and the electronic structure was modelled using density functional theory. In contrast to the gradual reduction in optical band gap, the films show a sharp reduction in both transparency and electrical resistivity with copper contents greater than 50%. Simulations indicate that this change is caused by a transition from a dominant Sn 5s to Cu 3d contribution to the upper valence band. A corresponding decrease in energetic disorder results in increased charge percolation pathways: a “compositional mobility edge.” Contributions from Cu(II) sub band-gap states are responsible for the reduction in optical transparency.

  4. Oxide

    SciTech Connect (OSTI)

    2014-07-15

    Oxide is a modular framework for feature extraction and analysis of executable files. Oxide is useful in a variety of reverse engineering and categorization tasks relating to executable content.

  5. Semiconductor bridge (SCB) detonator

    DOE Patents [OSTI]

    Bickes, R.W. Jr.; Grubelich, M.C.

    1999-01-19

    The present invention is a low-energy detonator for high-density secondary-explosive materials initiated by a semiconductor bridge (SCB) igniter that comprises a pair of electrically conductive lands connected by a semiconductor bridge. The semiconductor bridge is in operational or direct contact with the explosive material, whereby current flowing through the semiconductor bridge causes initiation of the explosive material. Header wires connected to the electrically-conductive lands and electrical feed-throughs of the header posts of explosive devices, are substantially coaxial to the direction of current flow through the SCB, i.e., substantially coaxial to the SCB length. 3 figs.

  6. Semiconductor bridge (SCB) detonator

    DOE Patents [OSTI]

    Bickes, Jr., Robert W.; Grubelich, Mark C.

    1999-01-01

    The present invention is a low-energy detonator for high-density secondary-explosive materials initiated by a semiconductor bridge igniter that comprises a pair of electrically conductive lands connected by a semiconductor bridge. The semiconductor bridge is in operational or direct contact with the explosive material, whereby current flowing through the semiconductor bridge causes initiation of the explosive material. Header wires connected to the electrically-conductive lands and electrical feed-throughs of the header posts of explosive devices, are substantially coaxial to the direction of current flow through the SCB, i.e., substantially coaxial to the SCB length.

  7. Interconnected semiconductor devices

    DOE Patents [OSTI]

    Grimmer, Derrick P.; Paulson, Kenneth R.; Gilbert, James R.

    1990-10-23

    Semiconductor layer and conductive layer formed on a flexible substrate, divided into individual devices and interconnected with one another in series by interconnection layers and penetrating terminals.

  8. Low interface defect density of atomic layer deposition BeO with self-cleaning reaction for InGaAs metal oxide semiconductor field effect transistors

    SciTech Connect (OSTI)

    Shin, H. S.; SEMATECH, 2706 Montopolis Dr., Austin, Texas 78741; The University of Texas, Austin, Texas 78758 ; Yum, J. H.; The University of Texas, Austin, Texas 78758 ; Johnson, D. W.; Texas A and M University College Station, Texas 77843 ; Harris, H. R.; Hudnall, Todd W.; Oh, J.; Kirsch, P.; Wang, W.-E.; Bielawski, C. W.; Banerjee, S. K.; Lee, J. C.; Lee, H. D.

    2013-11-25

    In this paper, we discuss atomic configuration of atomic layer deposition (ALD) beryllium oxide (BeO) using the quantum chemistry to understand the theoretical origin. BeO has shorter bond length, higher reaction enthalpy, and larger bandgap energy compared with those of ALD aluminum oxide. It is shown that the excellent material properties of ALD BeO can reduce interface defect density due to the self-cleaning reaction and this contributes to the improvement of device performance of InGaAs MOSFETs. The low interface defect density and low leakage current of InGaAs MOSFET were demonstrated using X-ray photoelectron spectroscopy and the corresponding electrical results.

  9. Photoelectrochemistry of Semiconductor Nanowire Arrays

    SciTech Connect (OSTI)

    Mallouk, Thomas E; Redwing, Joan M

    2009-11-10

    This project supported research on the growth and photoelectrochemical characterization of semiconductor nanowire arrays, and on the development of catalytic materials for visible light water splitting to produce hydrogen and oxygen. Silicon nanowires were grown in the pores of anodic aluminum oxide films by the vapor-liquid-solid technique and were characterized electrochemically. Because adventitious doping from the membrane led to high dark currents, silicon nanowire arrays were then grown on silicon substrates. The dependence of the dark current and photovoltage on preparation techniques, wire diameter, and defect density was studied for both p-silicon and p-indium phosphide nanowire arrays. The open circuit photovoltage of liquid junction cells increased with increasing wire diameter, reaching 350 mV for micron-diameter silicon wires. Liquid junction and radial p-n junction solar cells were fabricated from silicon nano- and microwire arrays and tested. Iridium oxide cluster catalysts stabilized by bidentate malonate and succinate ligands were also made and studied for the water oxidation reaction. Highlights of this project included the first papers on silicon and indium phosphide nanowire solar cells, and a new procedure for making ligand-stabilized water oxidation catalysts that can be covalently linked to molecular photosensitizers or electrode surfaces.

  10. Valence-band electronic structure evolution of graphene oxide upon thermal annealing for optoelectronics

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Yamaguchi, Hisato; Ogawa, Shuichi; Watanabe, Daiki; Hozumi, Hideaki; Gao, Yongqian; Eda, Goki; Mattevi, Cecilia; Fujita, Takeshi; Yoshigoe, Akitaka; Ishizuka, Shinji; et al

    2016-04-08

    We report valence band electronic structure evolution of graphene oxide (GO) upon its thermal reduction. Degree of oxygen functionalization was controlled by annealing temperatures, and an electronic structure evolution was monitored using real-time ultraviolet photoelectron spectroscopy. We observed a drastic increase in density of states around the Fermi level upon thermal annealing at ~600 °C. The result indicates that while there is an apparent band gap for GO prior to a thermal reduction, the gap closes after an annealing around that temperature. This trend of band gap closure was correlated with electrical, chemical, and structural properties to determine a setmore » of GO material properties that is optimal for optoelectronics. The results revealed that annealing at a temperature of ~500 °C leads to the desired properties, demonstrated by a uniform and an order of magnitude enhanced photocurrent map of an individual GO sheet compared to as-synthesized counterpart.« less

  11. Origin of spin gapless semiconductor behavior in CoFeCrGa: Theory and Experiment

    SciTech Connect (OSTI)

    Bainsla, Lakhan; Mallick, A. I.; Raja, M. Manivel; Coelho, A. A.; Nigam, A. K.; Johnson, D. D.; Alam, Aftab; Suresh, K. G.

    2015-07-08

    Despite a plethora of materials suggested for spintronic applications, a new class of materials has emerged, namely spin gapless semiconductors (SGS), which offers potentially more advantageous properties than existing ones. These magnetic semiconductors exhibit a finite band gap for one spin channel and a closed gap for the other. Supported by electronic-structure calculations, we report evidence of SGS behavior in equiatomic quaternary CoFeCrGa, having a cubic Heusler (prototype LiMgPdSn) structure but exhibiting chemical disorder (DO3 structure). CoFeCrGa is found to transform from SGS to half-metallic phase under pressure, which is attributed to unique electronic-structure features. The saturation magnetization (MS) was obtained at 8K agrees with the Slater-Pauling rule and the Curie temperature (TC) is found to exceed 400K. Carrier concentration (up to 250K) and electrical conductivity are observed to be nearly temperature independent, prerequisites for SGS. The anomalous Hall coefficient is estimated to be 185S/cm at 5K. Considering the SGS properties and high TC, this material appears to be promising for spintronic applications.

  12. Origin of spin gapless semiconductor behavior in CoFeCrGa: Theory and Experiment

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Bainsla, Lakhan; Mallick, A. I.; Raja, M. Manivel; Coelho, A. A.; Nigam, A. K.; Johnson, D. D.; Alam, Aftab; Suresh, K. G.

    2015-07-08

    Despite a plethora of materials suggested for spintronic applications, a new class of materials has emerged, namely spin gapless semiconductors (SGS), which offers potentially more advantageous properties than existing ones. These magnetic semiconductors exhibit a finite band gap for one spin channel and a closed gap for the other. Supported by electronic-structure calculations, we report evidence of SGS behavior in equiatomic quaternary CoFeCrGa, having a cubic Heusler (prototype LiMgPdSn) structure but exhibiting chemical disorder (DO3 structure). CoFeCrGa is found to transform from SGS to half-metallic phase under pressure, which is attributed to unique electronic-structure features. The saturation magnetization (MS) wasmore » obtained at 8K agrees with the Slater-Pauling rule and the Curie temperature (TC) is found to exceed 400K. Carrier concentration (up to 250K) and electrical conductivity are observed to be nearly temperature independent, prerequisites for SGS. The anomalous Hall coefficient is estimated to be 185S/cm at 5K. Considering the SGS properties and high TC, this material appears to be promising for spintronic applications.« less

  13. Formation of Ideal Rashba States on Layered Semiconductor Surfaces Steered by Strain Engineering

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ming, Wenmei; Wang, Z. F.; Zhou, Miao; Yoon, Mina; Liu, Feng

    2015-12-10

    Spin splitting of Rashba states in two-dimensional electron system provides a mechanism of spin manipulation for spintronics applications. However, Rashba states realized experimentally to date are often outnumbered by spin-degenerated substrate states at the same energy range, hindering their practical applications. Here, by density functional theory calculation, we show that Au one monolayer film deposition on a layered semiconductor surface β-InSe(0001) can possess “ideal” Rashba states with large spin splitting, which are completely situated inside the large band gap of the substrate. The position of the Rashba bands can be tuned over a wide range with respect to the substratemore » band edges by experimentally accessible strain. Furthermore, our nonequilibrium Green’s function transport calculation shows that this system may give rise to the long-sought strong current modulation when made into a device of Datta-Das transistor. Similar systems may be identified with other metal ultrathin films and layered semiconductor substrates to realize ideal Rashba states.« less

  14. Formation of Ideal Rashba States on Layered Semiconductor Surfaces Steered by Strain Engineering

    SciTech Connect (OSTI)

    Ming, Wenmei; Wang, Z. F.; Zhou, Miao; Yoon, Mina; Liu, Feng

    2015-12-10

    Spin splitting of Rashba states in two-dimensional electron system provides a mechanism of spin manipulation for spintronics applications. However, Rashba states realized experimentally to date are often outnumbered by spin-degenerated substrate states at the same energy range, hindering their practical applications. Here, by density functional theory calculation, we show that Au one monolayer film deposition on a layered semiconductor surface β-InSe(0001) can possess “ideal” Rashba states with large spin splitting, which are completely situated inside the large band gap of the substrate. The position of the Rashba bands can be tuned over a wide range with respect to the substrate band edges by experimentally accessible strain. Furthermore, our nonequilibrium Green’s function transport calculation shows that this system may give rise to the long-sought strong current modulation when made into a device of Datta-Das transistor. Similar systems may be identified with other metal ultrathin films and layered semiconductor substrates to realize ideal Rashba states.

  15. Metal-free g-C{sub 3}N{sub 4} photocatalyst by sulfuric acid activation for selective aerobic oxidation of benzyl alcohol under visible light

    SciTech Connect (OSTI)

    Zhang, Ligang; Liu, Di; Guan, Jing; Chen, Xiufang; Guo, Xingcui; Zhao, Fuhua; Hou, Tonggang; Mu, Xindong

    2014-11-15

    Highlights: A novel visible-light-driven acid-modified g-C{sub 3}N{sub 4} was prepared. The texture, electronic and surface property were tuned by acid modification. Acid-modified g-C{sub 3}N{sub 4} shows much higher activity for photocatalytic activity. Acid sites on the surface of g-C{sub 3}N{sub 4} favor efficient charge separation. - Abstract: In this work, modification of graphitic carbon nitride photocatalyst with acid was accomplished with a facile method through reflux in different acidic substances. The g-C{sub 3}N{sub 4}-based material was found to be a metal-free photocatalyst useful for the selective oxidation of benzyl alcohol with dioxygen as the oxidant under visible light irradiation. Acid modification had a significant influence on the photocatalytic performance of g-C{sub 3}N{sub 4}. Among all acid tested, sulfuric acid-modified g-C{sub 3}N{sub 4} showed the highest catalytic activity and gave benzaldehyde in 23% yield for 4 h under visible light irradiation, which was about 2.5 times higher than that of g-C{sub 3}N{sub 4}. The acid modification effectively improved surface area, reduced structural size, enlarged band gap, enhanced surface chemical state, and facilitated photoinduced charge separation, contributing to the enhanced photocatalytic activity. It is hoped that our work can open promising prospects for the utilization of metal free g-C{sub 3}N{sub 4}-based semiconductor as visible-light photocatalyst for selective organic transformation.

  16. Initial oxidation of TiAl: An ab-initio investigation

    SciTech Connect (OSTI)

    Bakulin, Alexander V. Kulkova, Svetlana E.; Hu, Qing-Miao; Yang, Rui

    2014-11-14

    We present ab-initio investigation of oxygen adsorption up to two monolayer coverage on the stoichiometric TiAl(100) surface to illustrate the initial oxidation stage. The formation of band gap near the Fermi level demonstrates the transformation from metal to oxide surface with increasing oxygen coverage. The oxidation of Ti rather than Al is observed from our electronic structure calculations. The energy barriers of oxygen diffusion between different sites on surface as well as in subsurface and bulk region are derived. It is shown that the diffusion of oxygen is much easier on the surface than that into the subsurface region.

  17. Features of the band structure and conduction mechanisms in the n-HfNiSn semiconductor heavily doped with Ru

    SciTech Connect (OSTI)

    Romaka, V. A.; Rogl, P.; Romaka, V. V.; Stadnyk, Yu. V.; Korzh, R. O.; Krayovskyy, V. Ya.; Horyn, A. M.

    2014-12-15

    The crystal and electronic structure and energy and kinetic properties of the n-HfNiSn semiconductor heavily doped with a Ru acceptor impurity are investigated in the temperature and Ru concentration ranges T = 80400 K and N{sub A}{sup Ru} ? 9.5 10{sup 19}?5.7 10{sup 20} cm{sup ?3} (x = 00.03), respectively. The mechanism of structural-defect generation is established, which changes the band gap and degree of compensation of the semiconductor and consists in the simultaneous concentration reduction and elimination of donor structural defects by means of the displacement of ?1% of Ni atoms from the Hf (4a) positions, the generation of acceptor structural defects upon the substitution of Ru atoms for Ni atoms in the 4c positions, and the generation of donor defects in the form of vacancies in the Sn (4b) positions. The calculated electronic structure of HfNi{sub 1?x}Ru{sub x}Sn is consistent with the experiment. The results obtained are discussed within the Shklovsky-Efros model for a heavily doped and compensated semiconductor.

  18. Method of doping a semiconductor

    DOE Patents [OSTI]

    Yang, Chiang Y.; Rapp, Robert A.

    1983-01-01

    A method for doping semiconductor material. An interface is established between a solid electrolyte and a semiconductor to be doped. The electrolyte is chosen to be an ionic conductor of the selected impurity and the semiconductor material and electrolyte are jointly chosen so that any compound formed from the impurity and the semiconductor will have a free energy no lower than the electrolyte. A potential is then established across the interface so as to allow the impurity ions to diffuse into the semiconductor. In one embodiment the semiconductor and electrolyte may be heated so as to increase the diffusion coefficient.

  19. Semiconductor Science and Technology

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    lighting ReSeaRch & development at Sandia national laboRatoRieS The bridge to a new way of lighting the world ssls.sandia.gov Initiates decades-long investment into compound semiconductor science and technology, eventually establishing its Center for Compound Semiconductor Science and Technology 1 9 7 7 Begins investing in gallium nitride (GaN) materials, physics, and device capabilities 1 9 9 5 Launches its Grand Challenge Laboratory Directed Research and Development Project, "A

  20. Ultrafast band engineering and transient spin currents in antiferromagnetic oxides

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Gu, Mingqiang; Rondinelli, James M.

    2016-04-29

    Here, we report a dynamic structure and band engineering strategy with experimental protocols to induce indirect-to-direct band gap transitions and coherently oscillating pure spin-currents in three-dimensional antiferromagnets (AFM) using selective phononic excitations. In the Mott insulator LaTiO3, we show that a photo-induced nonequilibrium phonon mode amplitude destroys the spin and orbitally degenerate ground state, reduces the band gap by 160 meV and renormalizes the carrier masses. The time scale of this process is a few hundreds of femtoseconds. Then in the hole-doped correlated metallic titanate, we show how pure spin-currents can be achieved to yield spin-polarizations exceeding those observed inmore » classic semiconductors. Last, we demonstrate the generality of the approach by applying it to the non-orbitally degenerate AFM CaMnO3. These results advance our understanding of electron-lattice interactions in structures out-of-equilibrium and establish a rational framework for designing dynamic phases that may be exploited in ultrafast optoelectronic and optospintronic devices.« less

  1. Wide Bandgap Semiconductors | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Wide Bandgap Semiconductors Wide Bandgap Semiconductors Addthis Duration 1:55 Topic Energy Sector Jobs Manufacturing Transmission Innovation

  2. Amorphous semiconductor solar cell

    DOE Patents [OSTI]

    Dalal, Vikram L.

    1981-01-01

    A solar cell comprising a back electrical contact, amorphous silicon semiconductor base and junction layers and a top electrical contact includes in its manufacture the step of heat treating the physical junction between the base layer and junction layer to diffuse the dopant species at the physical junction into the base layer.

  3. Low temperature production of large-grain polycrystalline semiconductors

    DOE Patents [OSTI]

    Naseem, Hameed A.; Albarghouti, Marwan

    2007-04-10

    An oxide or nitride layer is provided on an amorphous semiconductor layer prior to performing metal-induced crystallization of the semiconductor layer. The oxide or nitride layer facilitates conversion of the amorphous material into large grain polycrystalline material. Hence, a native silicon dioxide layer provided on hydrogenated amorphous silicon (a-Si:H), followed by deposited Al permits induced crystallization at temperatures far below the solid phase crystallization temperature of a-Si. Solar cells and thin film transistors can be prepared using this method.

  4. Diluted II-VI Oxide Semiconductors

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Zn 1y Mn y O x Te 1x is a material perfectly satisfying the conditions for single-junction photovoltaics with the potential for power conversion efficiencies surpassing 50%....

  5. Multiband semiconductor compositions for photovoltaic devices

    DOE Patents [OSTI]

    Walukiewicz, Wladyslaw; Yu, Kin Man; Wu, Junqiao

    2012-03-06

    The highly mismatched alloy Zn.sub.1-yMn.sub.yO.sub.xTe.sub.1-x, 0.ltoreq.y<1 and 0band gap of the Zn.sub.1-yMn.sub.yTe host. With multiple band gaps that fall within the solar energy spectrum, Zn.sub.1-yMn.sub.yO.sub.xTe.sub.1-x is a material perfectly satisfying the conditions for single-junction photovoltaics with the potential for power conversion efficiencies surpassing 50%.

  6. Multiband semiconductor compositions for photovoltaic devices

    DOE Patents [OSTI]

    Walukiewicz, Wladyslaw; Yu, Kin Man; Wu, Junqiao

    2010-05-04

    The highly mismatched alloy Zn.sub.1-yMn.sub.yO.sub.xTe.sub.1-x, 0.ltoreq.y<1 and 0band gap of the Zn.sub.1-yMn.sub.yTe host. With multiple band gaps that fall within the solar energy spectrum, Zn.sub.1-yMn.sub.yO.sub.xTe.sub.1-x is a material perfectly satisfying the conditions for single-junction photovoltaics with the potential for power conversion efficiencies surpassing 50%.

  7. Synthesis and characterization of some metal oxide nanocrystals by microwave irradiation

    SciTech Connect (OSTI)

    Rashad, M.; Gaber, A.; Abdelrahim, M. A.; Abdel-Baset, A. M.; Moharram, A. H.

    2013-12-16

    Copper oxide and cobalt oxide (CuO, Co3O4) nanocrystals (NCs) have been successfully prepared in a short time using microwave irradiation. The resulted powders of nanocrystals (NCs) were characterized by X-ray diffraction (XRD) and transmission electron microscopy (TEM). Thermogravimetric analysis (TGA) measurements are also studied. Fourier-transform infrared (FT-IR) and UVvisible absorption spectroscopy of both kind of nanoparticels are illustrated. Optical absorption analysis indicated the direct band gap for both kinds of nanocrystals.

  8. Substrate-Induced Band-Gap Opening in Epitaxial Graphene

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    controllable by chemically doping or by an electric field, high thermal conductivity, and high quality and strength-quickly stamped it as a possible material for future generations...

  9. Substrate-Induced Band-Gap Opening in Epitaxial Graphene

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Technology), D.-H. Lee (University of California, Berkeley), F. Guinea (Instituto de Ciencia de Materiales de Madrid, Spain), and A.H. Castro Neto (Boston University). Research...

  10. Electron Elevator: Excitations across the Band Gap via a Dynamical...

    Office of Scientific and Technical Information (OSTI)

    Record 10.1103PhysRevLett.116.043201 http:dx.doi.org10.1103PhysRevLett.116.043201 Have feedback or suggestions for a way to improve these results? Save Share this Record ...

  11. Direct band gap electroluminescence from bulk germanium at room...

    Office of Scientific and Technical Information (OSTI)

    Sciences, Kyushu University, 6-1 Kasuga-koen, Kasuga, Fukuoka 816-8580 (Japan) Art, Science and Technology Center for Cooperative Research, Kyushu University, 6-1...

  12. Systematic study of photoluminescence upon band gap excitation...

    Office of Scientific and Technical Information (OSTI)

    R sub 12Nasub 12TiOsub 3:Pr (RLa, Gd, Lu, and Y) Citation Details In-Document ... R sub 12Nasub 12TiOsub 3:Pr (RLa, Gd, Lu, and Y) Prsup 3+-doped perovskites R ...

  13. Semiconductor radiation detector

    DOE Patents [OSTI]

    Patt, Bradley E.; Iwanczyk, Jan S.; Tull, Carolyn R.; Vilkelis, Gintas

    2002-01-01

    A semiconductor radiation detector is provided to detect x-ray and light photons. The entrance electrode is segmented by using variable doping concentrations. Further, the entrance electrode is physically segmented by inserting n+ regions between p+ regions. The p+ regions and the n+ regions are individually biased. The detector elements can be used in an array, and the p+ regions and the n+ regions can be biased by applying potential at a single point. The back side of the semiconductor radiation detector has an n+ anode for collecting created charges and a number of p+ cathodes. Biased n+ inserts can be placed between the p+ cathodes, and an internal resistor divider can be used to bias the n+ inserts as well as the p+ cathodes. A polysilicon spiral guard can be implemented surrounding the active area of the entrance electrode or surrounding an array of entrance electrodes.

  14. Amorphous tin-cadmium oxide films and the production thereof

    DOE Patents [OSTI]

    Li, Xiaonan; Gessert, Timothy A

    2013-10-29

    A tin-cadmium oxide film having an amorphous structure and a ratio of tin atoms to cadmium atoms of between 1:1 and 3:1. The tin-cadmium oxide film may have an optical band gap of between 2.7 eV and 3.35 eV. The film may also have a charge carrier concentration of between 1.times.10.sup.20 cm.sup.-3 and 2.times.10.sup.20 cm.sup.-3. The tin cadmium oxide film may also exhibit a Hall mobility of between 40 cm.sup.2V.sup.-1 s.sup.-1 and 60 cm.sup.2V.sup.-1 s.sup.-1. Also disclosed is a method of producing an amorphous tin-cadmium oxide film as described and devices using same.

  15. 2012 DEFECTS IN SEMICONDUCTORS GORDON RESEARCH CONFERENCE, AUGUST 12-17, 2012

    SciTech Connect (OSTI)

    GLASER, EVAN

    2012-08-17

    The meeting shall strive to develop and further the fundamental understanding of defects and their roles in the structural, electronic, optical, and magnetic properties of bulk, thin film, and nanoscale semiconductors and device structures. Point and extended defects will be addressed in a broad range of electronic materials of particular current interest, including wide bandgap semiconductors, metal-oxides, carbon-based semiconductors (e.g., diamond, graphene, etc.), organic semiconductors, photovoltaic/solar cell materials, and others of similar interest. This interest includes novel defect detection/imaging techniques and advanced defect computational methods.

  16. Structure and electronic properties features of amorphous chalhogenide semiconductor films prepared by ion-plasma spraying

    SciTech Connect (OSTI)

    Korobova, N. Timoshenkov, S.; Almasov, N.; Prikhodko, O.; Tsendin, K.

    2014-10-21

    Structure of amorphous chalcogenide semiconductor glassy As-S-Se films, obtained by high-frequency (HF) ion-plasma sputtering has been investigated. It was shown that the length of the atomic structure medium order and local structure were different from the films obtained by thermal vacuum evaporation. Temperature dependence of dark conductivity, as well as the dependence of the spectral transmittance has been studied. Conductivity value was determined at room temperature. Energy activation conductivity and films optical band gap have been calculated. Temperature and field dependence of the drift mobility of charge carriers in the HF As-S-Se films have been shown. Bipolarity of charge carriers drift mobility has been confirmed. Absence of deep traps for electrons in the As{sub 40}Se{sub 30}S{sub 30} spectrum of localized states for films obtained by HF plasma ion sputtering was determined. Bipolar drift of charge carriers was found in amorphous As{sub 40}Se{sub 30}S{sub 30} films obtained by ion-plasma sputtering of high-frequency, unlike the films of these materials obtained by thermal evaporation.

  17. Method of passivating semiconductor surfaces

    DOE Patents [OSTI]

    Wanlass, Mark W.

    1990-01-01

    A method of passivating Group III-V or II-VI semiconductor compound surfaces. The method includes selecting a passivating material having a lattice constant substantially mismatched to the lattice constant of the semiconductor compound. The passivating material is then grown as an ultrathin layer of passivating material on the surface of the Group III-V or II-VI semiconductor compound. The passivating material is grown to a thickness sufficient to maintain a coherent interface between the ultrathin passivating material and the semiconductor compound. In addition, a device formed from such method is also disclosed.

  18. Method of passivating semiconductor surfaces

    DOE Patents [OSTI]

    Wanlass, M.W.

    1990-06-19

    A method is described for passivating Group III-V or II-VI semiconductor compound surfaces. The method includes selecting a passivating material having a lattice constant substantially mismatched to the lattice constant of the semiconductor compound. The passivating material is then grown as an ultrathin layer of passivating material on the surface of the Group III-V or II-VI semiconductor compound. The passivating material is grown to a thickness sufficient to maintain a coherent interface between the ultrathin passivating material and the semiconductor compound. In addition, a device formed from such method is also disclosed.

  19. Intrinsic Semiconductor | Open Energy Information

    Open Energy Info (EERE)

    Intrinsic Semiconductor is a privately held emerging growth company focusing on materials and device technologies based on silicon carbide (SiC) and gallium nitride (GaN)...

  20. Layered semiconductor neutron detectors

    DOE Patents [OSTI]

    Mao, Samuel S; Perry, Dale L

    2013-12-10

    Room temperature operating solid state hand held neutron detectors integrate one or more relatively thin layers of a high neutron interaction cross-section element or materials with semiconductor detectors. The high neutron interaction cross-section element (e.g., Gd, B or Li) or materials comprising at least one high neutron interaction cross-section element can be in the form of unstructured layers or micro- or nano-structured arrays. Such architecture provides high efficiency neutron detector devices by capturing substantially more carriers produced from high energy .alpha.-particles or .gamma.-photons generated by neutron interaction.

  1. Semiconductor devices incorporating multilayer interference regions

    DOE Patents [OSTI]

    Biefeld, R.M.; Drummond, T.J.; Gourley, P.L.; Zipperian, T.E.

    1987-08-31

    A semiconductor high reflector comprising a number of thin alternating layers of semiconductor materials is electrically tunable and may be used as a temperature insensitive semiconductor laser in a Fabry-Perot configuration. 8 figs.

  2. Semiconductor devices incorporating multilayer interference regions

    DOE Patents [OSTI]

    Biefeld, Robert M.; Drummond, Timothy J.; Gourley, Paul L.; Zipperian, Thomas E.

    1990-01-01

    A semiconductor high reflector comprising a number of thin alternating layers of semiconductor materials is electrically tunable and may be used as a temperature insensitive semiconductor laser in a Fabry-Perot configuration.

  3. First principles study of Fe in diamond: A diamond-based half metallic dilute magnetic semiconductor

    SciTech Connect (OSTI)

    Benecha, E. M.; Lombardi, E. B.

    2013-12-14

    Half-metallic ferromagnetic ordering in semiconductors, essential in the emerging field of spintronics for injection and transport of highly spin polarised currents, has up to now been considered mainly in III–V and II–VI materials. However, low Curie temperatures have limited implementation in room temperature device applications. We report ab initio Density Functional Theory calculations on the properties of Fe in diamond, considering the effects of lattice site, charge state, and Fermi level position. We show that the lattice sites and induced magnetic moments of Fe in diamond depend strongly on the Fermi level position and type of diamond co-doping, with Fe being energetically most favorable at the substitutional site in p-type and intrinsic diamond, while it is most stable at a divacancy site in n-type diamond. Fe induces spin polarized bands in the band gap, with strong hybridization between Fe-3d and C-2s,2p bands. We further consider Fe-Fe spin interactions in diamond and show that substitutional Fe{sup +1} in p-type diamond exhibits a half-metallic character, with a magnetic moment of 1.0 μ{sub B} per Fe atom and a large ferromagnetic stabilization energy of 33 meV, an order of magnitude larger than in other semiconductors, with correspondingly high Curie temperatures. These results, combined with diamond's unique properties, demonstrate that Fe doped p-type diamond is likely to be a highly suitable candidate material for spintronics applications.

  4. Process for producing chalcogenide semiconductors

    DOE Patents [OSTI]

    Noufi, Rommel; Chen, Yih-Wen

    1987-01-01

    A process for producing chalcogenide semiconductor material is disclosed. The process includes forming a base metal layer and then contacting this layer with a solution having a low pH and containing ions from at least one chalcogen to chalcogenize the layer and form the chalcogenide semiconductor material.

  5. Process for producing chalcogenide semiconductors

    DOE Patents [OSTI]

    Noufi, R.; Chen, Y.W.

    1985-04-30

    A process for producing chalcogenide semiconductor material is disclosed. The process includes forming a base metal layer and then contacting this layer with a solution having a low pH and containing ions from at least one chalcogen to chalcogenize the layer and form the chalcogenide semiconductor material.

  6. Physics with isotopically controlled semiconductors

    SciTech Connect (OSTI)

    Haller, E. E.

    2010-07-15

    This paper is based on a tutorial presentation at the International Conference on Defects in Semiconductors (ICDS-25) held in Saint Petersburg, Russia in July 2009. The tutorial focused on a review of recent research involving isotopically controlled semiconductors. Studies with isotopically enriched semiconductor structures experienced a dramatic expansion at the end of the Cold War when significant quantities of enriched isotopes of elements forming semiconductors became available for worldwide collaborations. Isotopes of an element differ in nuclear mass, may have different nuclear spins and undergo different nuclear reactions. Among the latter, the capture of thermal neutrons which can lead to neutron transmutation doping, is the most prominent effect for semiconductors. Experimental and theoretical research exploiting the differences in all the properties has been conducted and will be illustrated with selected examples.

  7. A Spintronic Semiconductor with Selectable Charge Carriers

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    A Spintronic Semiconductor with Selectable Charge Carriers Print Accentuating the Positive ... Strategies for developing spintronic semiconductors have been based on surface doping or ...

  8. A Spintronic Semiconductor with Selectable Charge Carriers

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    A Spintronic Semiconductor with Selectable Charge Carriers A Spintronic Semiconductor with Selectable Charge Carriers Print Wednesday, 28 August 2013 00:00 Accentuating the ...

  9. EMei Semiconductor Materials Plant Research Institute | Open...

    Open Energy Info (EERE)

    EMei Semiconductor Materials Plant Research Institute Jump to: navigation, search Name: EMei Semiconductor Materials Plant & Research Institute Place: Emei, Sichuan Province, China...

  10. Topsil Semiconductor Materials AS | Open Energy Information

    Open Energy Info (EERE)

    Topsil Semiconductor Materials AS Jump to: navigation, search Name: Topsil Semiconductor Materials AS Place: Frederikssund, Denmark Zip: 3600 Product: Danish specialist...