Alloy-Free Band Gap Tuning across the Visible Spectrum

Makin, Robert A.; York, Krystal; Durbin, Steven M.; Senabulya, Nancy; Mathis, James; Clarke, Roy; Feldberg, Nathaniel; Miska, Patrice; Jones, Christina M.; Deng, Zihao; Williams, Logan; Kioupakis, Emmanouil; Reeves, Roger J.

doi:10.1103/PhysRevLett.122.256403

Alloy-Free Band Gap Tuning across the Visible Spectrum

Journal Article · 16 August 2019 · Phys. Rev. Lett.

DOI:https://doi.org/10.1103/PhysRevLett.122.256403· OSTI ID:1558301

Makin, Robert A.; York, Krystal; Durbin, Steven M.; Senabulya, Nancy; Mathis, James; Clarke, Roy; Feldberg, Nathaniel; Miska, Patrice; Jones, Christina M.; Deng, Zihao; Williams, Logan; Kioupakis, Emmanouil; Reeves, Roger J. ^[1]

Michigan

Abstract not provided

Research Organization:: Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL (US)

Sponsoring Organization:: USDOE Office of Science (SC)

OSTI ID:: 1558301

Journal Information:: Phys. Rev. Lett., Journal Name: Phys. Rev. Lett. Journal Issue: (25) ; 06, 2019 Vol. 122

Country of Publication:: United States

Language:: ENGLISH

References (51)

VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data Momma, Koichi; Izumi, Fujio Journal of Applied Crystallography, Vol. 44, Issue 6 https://doi.org/10.1107/S0021889811038970	journal	October 2011
Bandgap Tunability in Zn(Sn,Ge)N ₂ Semiconductor Alloys Narang, Prineha; Chen, Shiyou; Coronel, Naomi C. Advanced Materials, Vol. 26, Issue 8 https://doi.org/10.1002/adma.201304473	journal	December 2013
Structural and Optoelectronic Characterization of RF Sputtered ZnSnN ₂ Lahourcade, Lise; Coronel, Naomi C.; Delaney, Kris T. Advanced Materials, Vol. 25, Issue 18 https://doi.org/10.1002/adma.201204718	journal	February 2013
Band alignment and p -type doping of ZnSnN 2 Wang, Tianshi; Ni, Chaoying; Janotti, Anderson Physical Review B, Vol. 95, Issue 20 https://doi.org/10.1103/PhysRevB.95.205205	journal	May 2017
Synthesis, lattice structure, and band gap of ZnSnN ₂ Quayle, Paul C.; He, Keliang; Shan, Jie MRS Communications, Vol. 3, Issue 3 https://doi.org/10.1557/mrc.2013.19	journal	June 2013
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium Kresse, G.; Hafner, J. Physical Review B, Vol. 49, Issue 20, p. 14251-14269 https://doi.org/10.1103/PhysRevB.49.14251	journal	May 1994
Growth of ordered and disordered ZnSnN ₂ Makin, Robert Allen; Senabulya, Nancy; Mathis, James Journal of Vacuum Science & Technology B, Nanotechnology and Microelectronics: Materials, Processing, Measurement, and Phenomena, Vol. 35, Issue 2 https://doi.org/10.1116/1.4978021	journal	March 2017
Vibrational modes in ZnGeN 2 : Raman study and theory Peshek, Timothy J.; Paudel, Tula R.; Kash, Kathleen Physical Review B, Vol. 77, Issue 23 https://doi.org/10.1103/PhysRevB.77.235213	journal	June 2008
Effects of Hydrogen on Acceptor Activation in Ternary Nitride Semiconductors Fioretti, Angela N.; Stokes, Adam; Young, Matthew R. Advanced Electronic Materials, Vol. 3, Issue 3 https://doi.org/10.1002/aelm.201600544	journal	February 2017
Band Theory for Ground-State Properties and Excitation Spectra of Perovskite La M O 3 ( M = Mn, Fe, Co, Ni) Sarma, D. D.; Shanthi, N.; Barman, S. R. Physical Review Letters, Vol. 75, Issue 6 https://doi.org/10.1103/PhysRevLett.75.1126	journal	August 1995
Growth of CuGaS ₂ Single Crystals by Chemical Vapor Transport and Characterization Prabukanthan, P.; Dhanasekaran, R. Crystal Growth & Design, Vol. 7, Issue 4 https://doi.org/10.1021/cg060450o	journal	April 2007
Long‐Range Order in Beta‐Brass and Cu ₃ Au Keating, D. T.; Warren, B. E. Journal of Applied Physics, Vol. 22, Issue 3 https://doi.org/10.1063/1.1699944	journal	March 1951
Charge-neutral disorder and polytypes in heterovalent wurtzite-based ternary semiconductors: The importance of the octet rule Quayle, Paul C.; Blanton, Eric W.; Punya, Atchara Physical Review B, Vol. 91, Issue 20 https://doi.org/10.1103/PhysRevB.91.205207	journal	May 2015
Growth, disorder, and physical properties of ZnSnN ₂ Feldberg, N.; Aldous, J. D.; Linhart, W. M. Applied Physics Letters, Vol. 103, Issue 4 https://doi.org/10.1063/1.4816438	journal	July 2013
Order–Disorder Phenomena and Their Effects on Bandgap in ZnSnP ₂ Nakatsuka, Shigeru; Nose, Yoshitaro The Journal of Physical Chemistry C, Vol. 121, Issue 2 https://doi.org/10.1021/acs.jpcc.6b11215	journal	January 2017
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Phase Stability and Defect Physics of a Ternary ZnSnN ₂ Semiconductor: First Principles Insights Chen, Shiyou; Narang, Prineha; Atwater, Harry A. Advanced Materials, Vol. 26, Issue 2 https://doi.org/10.1002/adma.201302727	journal	October 2013
Origin of the failed ensemble average rule for the band gaps of disordered nonisovalent semiconductor alloys Ma, Jie; Deng, Hui-Xiong; Luo, Jun-Wei Physical Review B, Vol. 90, Issue 11 https://doi.org/10.1103/PhysRevB.90.115201	journal	September 2014
Electronic Structures and Magnetic Order of Ordered-Fe-Vacancy Ternary Iron Selenides TlFe 1.5 Se 2 and A Fe 1.5 Se 2 ( A = K , Rb, or Cs) Yan, Xun-Wang; Gao, Miao; Lu, Zhong-Yi Physical Review Letters, Vol. 106, Issue 8 https://doi.org/10.1103/PhysRevLett.106.087005	journal	February 2011
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
First-principles calculation of the order-disorder transition in chalcopyrite semiconductors Wei, Su-Huai; Ferreira, L. G.; Zunger, Alex Physical Review B, Vol. 45, Issue 5 https://doi.org/10.1103/PhysRevB.45.2533	journal	February 1992
Synthesis and Properties of ZnGeN[sub 2] Larson, William L.; Maruska, H. Paul; Stevenson, David A. Journal of The Electrochemical Society, Vol. 121, Issue 12 https://doi.org/10.1149/1.2401769	journal	January 1974
Theory of the optical properties of phonon systems with disordered force constants, with application to NH4Cl Loveluck, J. M.; Sokoloff, J. B. Journal of Physics and Chemistry of Solids, Vol. 34, Issue 5 https://doi.org/10.1016/S0022-3697(73)80089-7	journal	May 1973
Semiconducting ZnSnN ₂ thin films for Si/ZnSnN ₂ p-n junctions Qin, Ruifeng; Cao, Hongtao; Liang, Lingyan Applied Physics Letters, Vol. 108, Issue 14 https://doi.org/10.1063/1.4945728	journal	April 2016
Synthesis of ZnSnN ₂ crystals via a high-pressure metathesis reaction : Synthesis of ZnSnN Kawamura, F.; Yamada, N.; Imai, M. Crystal Research and Technology, Vol. 51, Issue 3 https://doi.org/10.1002/crat.201500258	journal	February 2016
Effects of Electronic and Lattice Polarization on the Band Structure of Delafossite Transparent Conductive Oxides Vidal, Julien; Trani, Fabio; Bruneval, Fabien Physical Review Letters, Vol. 104, Issue 13 https://doi.org/10.1103/PhysRevLett.104.136401	journal	March 2010
Synthesis and Characterization of Nanostructured Wurtzite CuInS ₂ : A New Cation Disordered Polymorph of CuInS ₂ Qi, Yunxia; Liu, Qiangchun; Tang, Kaibin The Journal of Physical Chemistry C, Vol. 113, Issue 10 https://doi.org/10.1021/jp807987t	journal	February 2009
Efficient stochastic generation of special quasirandom structures van de Walle, A.; Tiwary, P.; de Jong, M. Calphad, Vol. 42 https://doi.org/10.1016/j.calphad.2013.06.006	journal	September 2013
Band edges determination of CuInS2 thin films prepared by electrodeposition Martinez, A. M.; Arriaga, L. G.; Fernández, A. M. Materials Chemistry and Physics, Vol. 88, Issue 2-3 https://doi.org/10.1016/j.matchemphys.2004.08.009	journal	December 2004
X‐Ray Measurement of Order in Single Crystals of Cu ₃ Au Cowley, J. M. Journal of Applied Physics, Vol. 21, Issue 1 https://doi.org/10.1063/1.1699415	journal	January 1950
Band Gap and Edge Engineering via Ferroic Distortion and Anisotropic Strain: The Case of SrTiO 3 Berger, Robert F.; Fennie, Craig J.; Neaton, Jeffrey B. Physical Review Letters, Vol. 107, Issue 14 https://doi.org/10.1103/PhysRevLett.107.146804	journal	September 2011
Order-disorder phenomenon in sodium nitrate studied by low-frequency Raman scattering Shen, T. Y.; Mitra, S. S.; Prask, H. Physical Review B, Vol. 12, Issue 10 https://doi.org/10.1103/PhysRevB.12.4530	journal	November 1975
Monte Carlo simulations of disorder in ZnSn N 2 and the effects on the electronic structure Lany, Stephan; Fioretti, Angela N.; Zawadzki, Paweł P. Physical Review Materials, Vol. 1, Issue 3 https://doi.org/10.1103/PhysRevMaterials.1.035401	journal	August 2017
Synthesis and characterization of ZnGeN2 grown from elemental Zn and Ge sources Du, K.; Bekele, C.; Hayman, C. C. Journal of Crystal Growth, Vol. 310, Issue 6 https://doi.org/10.1016/j.jcrysgro.2007.12.042	journal	March 2008
Vapor-liquid-solid synthesis of ZnSnN ₂ : Vapor-liquid-solid synthesis of ZnSnN Quayle, Paul C.; Junno, Grant T.; He, Keliang physica status solidi (b), Vol. 254, Issue 8 https://doi.org/10.1002/pssb.201600718	journal	March 2017
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
Hybrid functionals based on a screened Coulomb potential Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias The Journal of Chemical Physics, Vol. 118, Issue 18 https://doi.org/10.1063/1.1564060	journal	May 2003
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Excitonic emissions and above-band-gap luminescence in the single-crystal perovskite semiconductors CsPbB r 3 and CsPbC l 3 Sebastian, M.; Peters, J. A.; Stoumpos, C. C. Physical Review B, Vol. 92, Issue 23 https://doi.org/10.1103/PhysRevB.92.235210	journal	December 2015
Direct Observation of Electrostatically Driven Band Gap Renormalization in a Degenerate Perovskite Transparent Conducting Oxide Lebens-Higgins, Z.; Scanlon, D. O.; Paik, H. Physical Review Letters, Vol. 116, Issue 2 https://doi.org/10.1103/PhysRevLett.116.027602	journal	January 2016
Electronic band structure of Mg − IV − N 2 compounds in the quasiparticle-self-consistent G W approximation Jaroenjittichai, Atchara Punya; Lambrecht, Walter R. L. Physical Review B, Vol. 94, Issue 12 https://doi.org/10.1103/PhysRevB.94.125201	journal	September 2016
Novel Electronic Behavior Driving NdNiO 3 Metal-Insulator Transition Upton, M. H.; Choi, Yongseong; Park, Hyowon Physical Review Letters, Vol. 115, Issue 3 https://doi.org/10.1103/PhysRevLett.115.036401	journal	July 2015
Evolution of alloy properties with long-range order Laks, David B.; Wei, Su-Huai; Zunger, Alex Physical Review Letters, Vol. 69, Issue 26 https://doi.org/10.1103/PhysRevLett.69.3766	journal	December 1992
Stabilization of orthorhombic phase in single-crystal ZnSnN ₂ films Senabulya, Nancy; Feldberg, Nathaniel; Makin, Robert. A. AIP Advances, Vol. 6, Issue 7 https://doi.org/10.1063/1.4960109	journal	July 2016
Reflection High-Energy Electron Diffraction Ichimiya, Ayahiko; Cohen, Philip I. Cambridge University Press https://doi.org/10.1017/CBO9780511735097	book	January 2010
Prospective investigations of orthorhombic ZnGeN2: synthesis, lattice dynamics and optical properties Viennois, R.; Taliercio, T.; Potin, V. Materials Science and Engineering: B, Vol. 82, Issue 1-3 https://doi.org/10.1016/S0921-5107(00)00699-1	journal	May 2001
X‐Ray Measurement of Order in the Alloy Cu ₃ Au Wilchinsky, Zigmond W. Journal of Applied Physics, Vol. 15, Issue 12 https://doi.org/10.1063/1.1707395	journal	December 1944
Dependence of the optical properties of semiconductor alloys on the degree of long‐range order Wei, Su‐Huai; Laks, David B.; Zunger, Alex Applied Physics Letters, Vol. 62, Issue 16 https://doi.org/10.1063/1.109496	journal	April 1993
Structural and electronic properties of MgGe _x Sn _{(1- x )} N ₂ semiconductors: The density functional theory investigation Kanchiang, K.; Cheiwchanchamnangij, T.; Laosiritaworn, Y. Journal of Physics: Conference Series, Vol. 1144 https://doi.org/10.1088/1742-6596/1144/1/012149	journal	December 2018
Special quasirandom structures Zunger, Alex; Wei, S.-H.; Ferreira, L. G. Physical Review Letters, Vol. 65, Issue 3, p. 353-356 https://doi.org/10.1103/PhysRevLett.65.353	journal	July 1990

Similar Records

Alloy-Free Band Gap Tuning across the Visible Spectrum

Journal Article · 2019 · Physical Review Letters · OSTI ID:1529704

Pressure-Tuneable Visible-Range Band Gap in the Ionic Spinel Tin Nitride

Journal Article · 2018 · Angewandte Chemie (International Edition) · OSTI ID:1467719

Band gap tuning of amorphous Al oxides by Zr alloying

Journal Article · 2016 · Applied Physics Letters · OSTI ID:22590494

Alloy-Free Band Gap Tuning across the Visible Spectrum

Citation Formats

References (51)

Similar Records

Related Subjects