Influence of Polymorphism on the Electronic Structure of Ga2O3

Swallow, Jack N.; Vorwerk, Christian; Mazzolini, Piero; Vogt, Patrick; Bierwagen, Oliver; Karg, Alexander; Eickhoff, Martin; Schörmann, Jörg; Wagner, Markus R.; Roberts, Joseph W.; Chalker, Paul R.; Smiles, Matthew J.; Murgatroyd, Philip; Razek, Sara A.; Lebens-Higgins, Zachary W.; Piper, Louis J.; Jones, Leanne A. H.; Thakur, Pardeep K.; Lee, Tien-Lin; Varley, Joel B.; Furthmüller, Jürgen; Draxl, Claudia; Veal, Tim D.; Regoutz, Anna

doi:10.1021/acs.chemmater.0c02465

Title: Influence of Polymorphism on the Electronic Structure of Ga₂O₃

Journal Article · Wed Sep 02 00:00:00 EDT 2020 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.0c02465· OSTI ID:1668469

Swallow, Jack N. ^[1];

^[2]; Mazzolini, Piero ^[3]; Vogt, Patrick ^[3]; Bierwagen, Oliver ^[3]; Karg, Alexander ^[4]; Eickhoff, Martin ^[4]; Schörmann, Jörg ^[5];

^[6];

^[1]; Chalker, Paul R. ^[1];

^[1]; Murgatroyd, Philip ^[1]; Razek, Sara A. ^[7]; Lebens-Higgins, Zachary W. ^[7];

^[7]; Jones, Leanne A. H. ^[1];

^[8]; Lee, Tien-Lin ^[8];

^[9] more »

Univ. of Liverpool (United Kingdom)
Humboldt Univ. of Berlin (Germany)
Leibniz Inst. for Zoo and Wildlife Research, Berlin (Germany)
Univ. of Bremen (Germany)
Justus Liebig Univ., Giessen (Germany)
Technical Univ. of Berlin (Germany)
Binghamton Univ., NY (United States)
Science and Technology Facilities Council (STFC), Oxford (United Kingdom). Diamond Light Source, Ltd.
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Friedrich Schiller Univ., Jena (Germany)
Univ. College London (United Kingdom)

The search for new wide-band-gap materials is intensifying to satisfy the need for more advanced and energy-efficient power electronic devices. Ga₂O₃ has emerged as an alternative to SiC and GaN, sparking a renewed interest in its fundamental properties beyond the main β-phase. Here, three polymorphs of Ga₂O₃, α, β, and ε, are investigated using X-ray diffraction, X-ray photoelectron and absorption spectroscopy, and ab initio theoretical approaches to gain insights into their structure–electronic structure relationships. Valence and conduction electronic structure as well as semicore and core states are probed, providing a complete picture of the influence of local coordination environments on the electronic structure. State-of-the-art electronic structure theory, including all-electron density functional theory and many-body perturbation theory, provides detailed understanding of the spectroscopic results. The calculated spectra provide very accurate descriptions of all experimental spectra and additionally illuminate the origin of observed spectral features. This paper provides a strong basis for the exploration of the Ga₂O₃ polymorphs as materials at the heart of future electronic device generations.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC); National Science Foundation (NSF); Engineering and Physical Sciences Research Council (EPSRC)

Grant/Contract Number:: AC52-07NA27344; AC02- 06CH11357; DMREF-1627583; EP/P001513/1

OSTI ID:: 1668469

Report Number(s):: LLNL-JRNL-811529; 1018249

Journal Information:: Chemistry of Materials, Vol. na, Issue na; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

References (73)

Recent advances in free-standing single crystalline wide band-gap semiconductors and their applications: GaN, SiC, ZnO, β-Ga ₂ O ₃ , and diamond Kim, Munho; Seo, Jung-Hun; Singisetti, Uttam Journal of Materials Chemistry C, Vol. 5, Issue 33 https://doi.org/10.1039/c7tc02221b	journal	January 2017
Development of gallium oxide power devices: Development of gallium oxide power devices Higashiwaki, Masataka; Sasaki, Kohei; Kuramata, Akito physica status solidi (a), Vol. 211, Issue 1 https://doi.org/10.1002/pssa.201330197	journal	November 2013
Sol-gel prepared β-Ga2O3 thin films for ultraviolet photodetectors Kokubun, Yoshihiro; Miura, Kasumi; Endo, Fumie Applied Physics Letters, Vol. 90, Issue 3 https://doi.org/10.1063/1.2432946	journal	January 2007
Ga2O3 thin film for oxygen sensor at high temperature Ogita, M.; Higo, K.; Nakanishi, Y. Applied Surface Science, Vol. 175-176 https://doi.org/10.1016/S0169-4332(01)00080-0	journal	May 2001
Functionalized Ga ₂ O ₃ Nanowires as Active Material in Room Temperature Capacitance-Based Gas Sensors Mazeina, Lena; Perkins, F. Keith; Bermudez, Victor M. Langmuir, Vol. 26, Issue 16 https://doi.org/10.1021/la101760k	journal	August 2010
Synthesis and control of conductivity of ultraviolet transmitting β-Ga2O3 single crystals Ueda, Naoyuki; Hosono, Hideo; Waseda, Ryuta Applied Physics Letters, Vol. 70, Issue 26 https://doi.org/10.1063/1.119233	journal	June 1997
Recent progress in Ga ₂ O ₃ power devices Higashiwaki, Masataka; Sasaki, Kohei; Murakami, Hisashi Semiconductor Science and Technology, Vol. 31, Issue 3 https://doi.org/10.1088/0268-1242/31/3/034001	journal	January 2016
Anisotropy of electrical and optical properties in β-Ga2O3 single crystals Ueda, Naoyuki; Hosono, Hideo; Waseda, Ryuta Applied Physics Letters, Vol. 71, Issue 7 https://doi.org/10.1063/1.119693	journal	August 1997
Metastable Alumina Polymorphs: Crystal Structures and Transition Sequences Levin, Igor; Brandon, David Journal of the American Ceramic Society, Vol. 81, Issue 8 https://doi.org/10.1111/j.1151-2916.1998.tb02581.x	journal	August 1998
Interpretation of the Changing the Band Gap of Al ₂ O ₃ Depending on Its Crystalline Form: Connection with Different Local Symmetries Filatova, Elena O.; Konashuk, Aleksei S. The Journal of Physical Chemistry C, Vol. 119, Issue 35 https://doi.org/10.1021/acs.jpcc.5b06843	journal	August 2015
Indium-oxide polymorphs from first principles: Quasiparticle electronic states Fuchs, F.; Bechstedt, F. Physical Review B, Vol. 77, Issue 15 https://doi.org/10.1103/physrevb.77.155107	journal	April 2008
Electronic Structures of Antimony Oxides Allen, Jeremy P.; Carey, John J.; Walsh, Aron The Journal of Physical Chemistry C, Vol. 117, Issue 28 https://doi.org/10.1021/jp4026249	journal	July 2013
Polymorphism of Ga ₂ O ₃ and the System Ga ₂ O ₃ —H ₂ O Roy, Rustum; Hill, V. G.; Osborn, E. F. Journal of the American Chemical Society, Vol. 74, Issue 3 https://doi.org/10.1021/ja01123a039	journal	February 1952
${Rh}_{2} O_{3} (II)$ -type structures in ${Ga}_{2} O_{3}$ and ${In}_{2} O_{3}$ under high pressure: Experiment and theory Yusa, Hitoshi; Tsuchiya, Taku; Sata, Nagayoshi Physical Review B, Vol. 77, Issue 6 https://doi.org/10.1103/physrevb.77.064107	journal	February 2008
Recent progress on the electronic structure, defect, and doping properties of Ga ₂ O ₃ Zhang, Jiaye; Shi, Jueli; Qi, Dong-Chen APL Materials, Vol. 8, Issue 2 https://doi.org/10.1063/1.5142999	journal	February 2020
Structures of Uncharacterised Polymorphs of Gallium Oxide from Total Neutron Diffraction Playford, Helen Y.; Hannon, Alex C.; Barney, Emma R. Chemistry - A European Journal, Vol. 19, Issue 8 https://doi.org/10.1002/chem.201203359	journal	January 2013
The real structure of ε-Ga ₂ O ₃ and its relation to κ-phase Cora, Ildikó; Mezzadri, Francesco; Boschi, Francesco CrystEngComm, Vol. 19, Issue 11 https://doi.org/10.1039/c7ce00123a	journal	January 2017
Structures and energetics of Ga ₂ O ₃ polymorphs Yoshioka, S.; Hayashi, H.; Kuwabara, A. Journal of Physics: Condensed Matter, Vol. 19, Issue 34 https://doi.org/10.1088/0953-8984/19/34/346211	journal	July 2007
Quasiparticle bands and spectra of ${Ga}_{2} O_{3}$ polymorphs Furthmüller, J.; Bechstedt, F. Physical Review B, Vol. 93, Issue 11 https://doi.org/10.1103/physrevb.93.115204	journal	March 2016
First-principles study of the structural, electronic, and optical properties of ${Ga}_{2} O_{3}$ in its monoclinic and hexagonal phases He, Haiying; Orlando, Roberto; Blanco, Miguel A. Physical Review B, Vol. 74, Issue 19 https://doi.org/10.1103/physrevb.74.195123	journal	November 2006
FPLAPW study of the structural, electronic, and optical properties of Ga2O3: Monoclinic and hexagonal phases Litimein, F.; Rached, D.; Khenata, R. Journal of Alloys and Compounds, Vol. 488, Issue 1 https://doi.org/10.1016/j.jallcom.2009.08.092	journal	November 2009
Electronic Properties of Ga ₂ O ₃ Polymorphs Lyons, John L. ECS Journal of Solid State Science and Technology, Vol. 8, Issue 7 https://doi.org/10.1149/2.0331907jss	journal	January 2019
Atomic signatures of local environment from core-level spectroscopy in $β − {Ga}_{2} O_{3}$ Cocchi, Caterina; Zschiesche, Hannes; Nabok, Dmitrii Physical Review B, Vol. 94, Issue 7 https://doi.org/10.1103/physrevb.94.075147	journal	August 2016
Fundamental limits on the electron mobility of β -Ga ₂ O ₃ Kang, Youngho; Krishnaswamy, Karthik; Peelaers, Hartwin Journal of Physics: Condensed Matter, Vol. 29, Issue 23 https://doi.org/10.1088/1361-648x/aa6f66	journal	May 2017
Electron mobility in monoclinic β-Ga ₂ O ₃ —Effect of plasmon-phonon coupling, anisotropy, and confinement Ghosh, Krishnendu; Singisetti, Uttam Journal of Materials Research, Vol. 32, Issue 22 https://doi.org/10.1557/jmr.2017.398	journal	October 2017
(Invited) Growth and Characterization of α -, β -, and ε -Ga ₂ O ₃ Epitaxial Layers on Sapphire Yao, Yao; Lyle, Luke A. M.; Rokholt, Johanne A. ECS Transactions, Vol. 80, Issue 7 https://doi.org/10.1149/08007.0191ecst	journal	August 2017
Epitaxial growth of α-Ga2O3 thin films on a-, m-, and r-plane sapphire substrates by mist chemical vapor deposition using α-Fe2O3 buffer layers Nishinaka, Hiroyuki; Tahara, Daisuke; Morimoto, Shota Materials Letters, Vol. 205 https://doi.org/10.1016/j.matlet.2017.06.003	journal	October 2017
Band gap of corundumlike $α - {Ga}_{2} O_{3}$ determined by absorption and ellipsometry Segura, A.; Artús, L.; Cuscó, R. Physical Review Materials, Vol. 1, Issue 2 https://doi.org/10.1103/physrevmaterials.1.024604	journal	July 2017
Transition from electron accumulation to depletion at β-Ga ₂ O ₃ surfaces: The role of hydrogen and the charge neutrality level Swallow, J. E. N.; Varley, J. B.; Jones, L. A. H. APL Materials, Vol. 7, Issue 2 https://doi.org/10.1063/1.5054091	journal	February 2019
Photocatalytic performance of α-, β-, and γ-Ga2O3 for the destruction of volatile aromatic pollutants in air Hou, Y.; Wu, L.; Wang, X. Journal of Catalysis, Vol. 250, Issue 1 https://doi.org/10.1016/j.jcat.2007.05.012	journal	August 2007
Infrared Spectroscopic Study of the Carbon Dioxide Adsorption on the Surface of Ga ₂ O ₃ Polymorphs Collins, Sebastián E.; Baltanás, Miguel A.; Bonivardi, Adrian L. The Journal of Physical Chemistry B, Vol. 110, Issue 11 https://doi.org/10.1021/jp055594c	journal	March 2006
Heteroepitaxial growth of α-, β-, γ- and κ-Ga2O3 phases by metalorganic vapor phase epitaxy Gottschalch, Volker; Merker, Stefan; Blaurock, Steffen Journal of Crystal Growth, Vol. 510 https://doi.org/10.1016/j.jcrysgro.2019.01.018	journal	March 2019
Intrinsic electron mobility limits in β -Ga ₂ O ₃ Ma, Nan; Tanen, Nicholas; Verma, Amit Applied Physics Letters, Vol. 109, Issue 21 https://doi.org/10.1063/1.4968550	journal	November 2016
Electrical conductivity tensor of $β - {Ga}_{2} O_{3}$ analyzed by van der Pauw measurements: Inherent anisotropy, off-diagonal element, and the impact of grain boundaries Golz, Christian; Galazka, Zbigniew; Lähnemann, Jonas Physical Review Materials, Vol. 3, Issue 12 https://doi.org/10.1103/physrevmaterials.3.124604	journal	December 2019
Electronic structure of β- Ga ₂ O ₃ single crystals investigated by hard X-ray photoelectron spectroscopy Li, Guo-Ling; Zhang, Fabi; Cui, Yi-Tao Applied Physics Letters, Vol. 107, Issue 2 https://doi.org/10.1063/1.4926919	journal	July 2015
The electronic structure of ε -Ga ₂ O ₃ Mulazzi, M.; Reichmann, F.; Becker, A. APL Materials, Vol. 7, Issue 2 https://doi.org/10.1063/1.5054395	journal	February 2019
Near valence-band electronic properties of semiconducting $β {- Ga}_{2} O_{3}$ (100) single crystals Navarro-Quezada, A.; Alamé, S.; Esser, N. Physical Review B, Vol. 92, Issue 19 https://doi.org/10.1103/physrevb.92.195306	journal	November 2015
Crystal Structure of β‐Ga ₂ O ₃ Geller, S. The Journal of Chemical Physics, Vol. 33, Issue 3 https://doi.org/10.1063/1.1731237	journal	September 1960
A Reinvestigation of β-Gallium Oxide Åhman, J.; Svensson, G.; Albertsson, J. Acta Crystallographica Section C Crystal Structure Communications, Vol. 52, Issue 6 https://doi.org/10.1107/s0108270195016404	journal	June 1996
Low temperature growth and optical properties of α-Ga2O3 deposited on sapphire by plasma enhanced atomic layer deposition Roberts, J. W.; Chalker, P. R.; Ding, B. Journal of Crystal Growth, Vol. 528 https://doi.org/10.1016/j.jcrysgro.2019.125254	journal	December 2019
Metal-Exchange Catalysis in the Growth of Sesquioxides: Towards Heterostructures of Transparent Oxide Semiconductors Vogt, Patrick; Brandt, Oliver; Riechert, Henning Physical Review Letters, Vol. 119, Issue 19 https://doi.org/10.1103/physrevlett.119.196001	journal	November 2017
Tin-Assisted Synthesis of $ε − {Ga}_{2} O_{3}$ by Molecular Beam Epitaxy Kracht, M.; Karg, A.; Schörmann, J. Physical Review Applied, Vol. 8, Issue 5 https://doi.org/10.1103/physrevapplied.8.054002	journal	November 2017
Phase formation and strain relaxation of Ga ₂ O ₃ on c-plane and a-plane sapphire substrates as studied by synchrotron-based x-ray diffraction Cheng, Zongzhe; Hanke, Michael; Vogt, Patrick Applied Physics Letters, Vol. 111, Issue 16 https://doi.org/10.1063/1.4998804	journal	October 2017
Crystal Structure and Ferroelectric Properties of ε-Ga ₂ O ₃ Films Grown on (0001)-Sapphire Mezzadri, Francesco; Calestani, Gianluca; Boschi, Francesco Inorganic Chemistry, Vol. 55, Issue 22 https://doi.org/10.1021/acs.inorgchem.6b02244	journal	November 2016
Valence-band orbital character of CdO: A synchrotron-radiation photoelectron spectroscopy and density functional theory study Mudd, J. J.; Lee, Tien-Lin; Muñoz-Sanjosé, V. Physical Review B, Vol. 89, Issue 16 https://doi.org/10.1103/physrevb.89.165305	journal	April 2014
Valence-band density of states and surface electron accumulation in epitaxial ${SnO}_{2}$ films Vasheghani Farahani, S. K.; Veal, T. D.; Mudd, J. J. Physical Review B, Vol. 90, Issue 15 https://doi.org/10.1103/physrevb.90.155413	journal	October 2014
Role of metal d states in II-VI semiconductors Wei, S. -H.; Zunger, Alex Physical Review B, Vol. 37, Issue 15 https://doi.org/10.1103/physrevb.37.8958	journal	May 1988
Total valence-band densities of states of III-V and II-VI compounds from x-ray photoemission spectroscopy Ley, L.; Pollak, R. A.; McFeely, F. R. Physical Review B, Vol. 9, Issue 2 https://doi.org/10.1103/physrevb.9.600	journal	January 1974
Quasiparticle Band Gap of ZnO: High Accuracy from the Conventional $G^{0} W^{0}$ Approach Shih, Bi-Ching; Xue, Yu; Zhang, Peihong Physical Review Letters, Vol. 105, Issue 14 https://doi.org/10.1103/physrevlett.105.146401	journal	September 2010
Quasiparticle band structure based on a generalized Kohn-Sham scheme Fuchs, F.; Furthmüller, J.; Bechstedt, F. Physical Review B, Vol. 76, Issue 11 https://doi.org/10.1103/physrevb.76.115109	journal	September 2007
New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem Hedin, Lars Physical Review, Vol. 139, Issue 3A https://doi.org/10.1103/physrev.139.a796	journal	August 1965
Self-consistent $G W$ calculations for semiconductors and insulators Shishkin, M.; Kresse, G. Physical Review B, Vol. 75, Issue 23 https://doi.org/10.1103/physrevb.75.235102	journal	June 2007
Revisiting the origin of satellites in core-level photoemission of transparent conducting oxides: The case of $n$ -doped ${SnO}_{2}$ Borgatti, Francesco; Berger, J. A.; Céolin, Denis Physical Review B, Vol. 97, Issue 15 https://doi.org/10.1103/physrevb.97.155102	journal	April 2018
Epitaxial growth of phase-pure ε-Ga ₂ O ₃ by halide vapor phase epitaxy Oshima, Yuichi; Víllora, Encarnación G.; Matsushita, Yoshitaka Journal of Applied Physics, Vol. 118, Issue 8 https://doi.org/10.1063/1.4929417	journal	August 2015
Conduction mechanism and shallow donor properties in silicon-doped $ɛ -G a_{2} O_{3}$ thin films: An electron paramagnetic resonance study von Bardeleben, H. J.; Cantin, J. L.; Parisini, A. Physical Review Materials, Vol. 3, Issue 8 https://doi.org/10.1103/physrevmaterials.3.084601	journal	August 2019
Si and Sn doping of ε-Ga ₂ O ₃ layers Parisini, A.; Bosio, A.; Montedoro, V. APL Materials, Vol. 7, Issue 3 https://doi.org/10.1063/1.5050982	journal	March 2019
Addressing electron-hole correlation in core excitations of solids: An all-electron many-body approach from first principles Vorwerk, Christian; Cocchi, Caterina; Draxl, Claudia Physical Review B, Vol. 95, Issue 15 https://doi.org/10.1103/physrevb.95.155121	journal	April 2017
Bethe–Salpeter equation for absorption and scattering spectroscopy: implementation in the exciting code Vorwerk, Christian; Aurich, Benjamin; Cocchi, Caterina Electronic Structure, Vol. 1, Issue 3 https://doi.org/10.1088/2516-1075/ab3123	journal	August 2019
Electrical conductivity of In ₂ O ₃ and Ga ₂ O ₃ after low temperature ion irradiation; implications for instrinsic defect formation and charge neutrality level Vines, L.; Bhoodoo, C.; von Wenckstern, H. Journal of Physics: Condensed Matter, Vol. 30, Issue 2 https://doi.org/10.1088/1361-648x/aa9e2a	journal	December 2017
Conductivity in transparent oxide semiconductors King, P. D. C.; Veal, T. D. Journal of Physics: Condensed Matter, Vol. 23, Issue 33 https://doi.org/10.1088/0953-8984/23/33/334214	journal	August 2011
α-Ga2O3 grown by low temperature atomic layer deposition on sapphire Roberts, J. W.; Jarman, J. C.; Johnstone, D. N. Journal of Crystal Growth, Vol. 487 https://doi.org/10.1016/j.jcrysgro.2018.02.014	journal	April 2018
Deep level defects throughout the bandgap of (010) β-Ga ₂ O ₃ detected by optically and thermally stimulated defect spectroscopy Zhang, Z.; Farzana, E.; Arehart, A. R. Applied Physics Letters, Vol. 108, Issue 5 https://doi.org/10.1063/1.4941429	journal	February 2016
Electronic band structure of graphene from resonant soft x-ray spectroscopy: The role of core-hole effects Zhang, L.; Schwertfager, N.; Cheiwchanchamnangij, T. Physical Review B, Vol. 86, Issue 24 https://doi.org/10.1103/physrevb.86.245430	journal	December 2012
La-doped BaSnO ₃ —Degenerate perovskite transparent conducting oxide: Evidence from synchrotron x-ray spectroscopy Sallis, S.; Scanlon, D. O.; Chae, S. C. Applied Physics Letters, Vol. 103, Issue 4 https://doi.org/10.1063/1.4816511	journal	July 2013
A Two-Color Beamline for Electron Spectroscopies at Diamond Light Source Lee, Tien-Lin; Duncan, David A. Synchrotron Radiation News, Vol. 31, Issue 4 https://doi.org/10.1080/08940886.2018.1483653	journal	July 2018
exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory Gulans, Andris; Kontur, Stefan; Meisenbichler, Christian Journal of Physics: Condensed Matter, Vol. 26, Issue 36 https://doi.org/10.1088/0953-8984/26/36/363202	journal	August 2014
Equation of state of gallium oxide to $70 GPa$ : Comparison of quasihydrostatic and nonhydrostatic compression Lipinska-Kalita, Kristina E.; Kalita, Patricia E.; Hemmers, Oliver A. Physical Review B, Vol. 77, Issue 9 https://doi.org/10.1103/physrevb.77.094123	journal	March 2008
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
Functional designed to include surface effects in self-consistent density functional theory Armiento, R.; Mattsson, A. E. Physical Review B, Vol. 72, Issue 8 https://doi.org/10.1103/physrevb.72.085108	journal	August 2005
Structural and electronic properties of Ga ₂ O ₃ -Al ₂ O ₃ alloys Peelaers, Hartwin; Varley, Joel B.; Speck, James S. Applied Physics Letters, Vol. 112, Issue 24 https://doi.org/10.1063/1.5036991	journal	June 2018
Development of gallium oxide power devices (Phys. Status Solidi A 1∕2014) Higashiwaki, Masataka; Sasaki, Kohei; Kuramata, Akito physica status solidi (a), Vol. 211, Issue 1 https://doi.org/10.1002/pssa.201470201	journal	January 2014
Revisiting the origin of satellites in core level photoemission of transparent conducting oxides: the case of $n$-doped SnO$_2$ Borgatti, F.; Berger, J. A.; Céolin, D. arXiv https://doi.org/10.48550/arxiv.1710.08829	text	January 2017
Bethe-Salpeter equation for absorption and scattering spectroscopy: Implementation in the $\texttt{exciting}$ code Vorwerk, Christian; Aurich, Benjamin; Cocchi, Caterina arXiv https://doi.org/10.48550/arxiv.1904.05575	preprint	January 2019

Similar Records

Optical vibrational spectra and proposed crystal structure of ε-UO₃

Journal Article · Thu Nov 18 00:00:00 EST 2021 · Journal of Nuclear Materials · OSTI ID:1668469

Spano, Tyler L.; Hunt, Rodney Dale; Kapsimalis, Roger J.; +3 more

Tackling Disorder in γ‐Ga ₂ O ₃

Journal Article · Wed Aug 17 00:00:00 EDT 2022 · Advanced Materials · OSTI ID:1668469

Ratcliff, Laura E.; Oshima, Takayoshi; Nippert, Felix; +19 more

High optical and structural quality of GaN epilayers grown on (2{sup ¯}01) β-Ga{sub 2}O{sub 3}

Journal Article · Mon Jul 28 00:00:00 EDT 2014 · Applied Physics Letters · OSTI ID:1668469

Muhammed, M. M.; Peres, M.; Franco, N.; +5 more

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Title: Influence of Polymorphism on the Electronic Structure of Ga2O3

Citation Formats

References (73)

Similar Records

Related Subjects

Title: Influence of Polymorphism on the Electronic Structure of Ga₂O₃