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Filters: Author is Van de Walle, Chris G [Clear All Filters]

2016

Bjaalie L, Janotti A, Himmetoglu B, Van de Walle CG. 2016. Metal versus insulator behavior in ultrathin SrTiO 3-based heterostructures. Physical Review B. 94(3):035115(6).

Bjaalie L, Janotti A, Krishnaswamy K, Van de Walle CG. 2016. Point defects, impurities, and small hole polarons in GdTiO 3. Physical Review B. 93:115316.

Wang W, Janotti A, Van de Walle CG. 2016. Role of oxygen vacancies in crystalline WO 3. Journal of Materials Chemistry C.

2015

Peelaers H, Van de Walle CG. 2015. Brillouin zone and band structure of $\beta$-Ga2O3. physica status solidi (b). 252:828–832.

Bjaalie L, Verma A, Himmetoglu B, Janotti A, Raghavan S, Protasenko V, Steenbergen EH, Jena D, Stemmer S, Van de Walle CG. 2015. Determination of the Mott-Hubbard gap in GdTiO 3. Physical Review B. 92:085111.

Lyons JL, Alkauskas A, Janotti A, Van de Walle CG. 2015. First-principles theory of acceptors in nitride semiconductors. physica status solidi (b). 252:900–908.

Peelaers H, Steiauf D, Varley JB, Janotti A, Van de Walle CG. 2015. (In x Ga 1- x) 2 O 3 alloys for transparent electronics. Physical Review B. 92:085206.

Miao M-S, Van de Walle CG. 2015. Nitride-based high-electron-mobility transistor with single-layer InN for mobility-enhanced channel. Applied Physics Express. 8:024302.

Gordon L, Varley JB, Lyons JL, Janotti A, Van de Walle CG. 2015. Sulfur doping of AlN and AlGaN for improved n-type conductivity. physica status solidi (RRL)-Rapid Research Letters. 9:462–465.

2014

Steiauf D, Kioupakis E, Van de Walle CG. 2014. Auger Recombination in GaAs from First Principles. ACS Photonics. 1:643–646.

Dreyer CE, Lyons JL, Janotti A, Van de Walle CG. 2014. Band alignments and polarization properties of BN polymorphs. Applied Physics Express. 7:031001.

McBride PM, Yan Q, Van de Walle CG. 2014. Effects of In profile on simulations of InGaN/GaN multi-quantum-well light-emitting diodes. Applied Physics Letters. 105:083507.

Yan Q, Rinke P, Janotti A, Scheffler M, Van de Walle CG. 2014. Effects of strain on the band structure of group-III nitrides. Physical Review B. 90:125118.

Carbogno C, Levi CG, Van de Walle CG, Scheffler M. 2014. Ferroelastic switching of doped zirconia: Modeling and understanding from first principles. Physical Review B. 90:144109.

Kioupakis E, Steiauf D, Rinke P, Delaney KT, Van de Walle CG. 2014. First-principles calculations of indirect Auger recombination in nitride semiconductors. arXiv preprint arXiv:1412.7555.

Yan Q, Kioupakis E, Jena D, Van de Walle CG. 2014. First-principles study of high-field-related electronic behavior of group-III nitrides. Physical Review B. 90:121201.

Himmetoglu B, Janotti A, Peelaers H, Alkauskas A, Van de Walle CG. 2014. First-principles study of the mobility of SrTiO 3. Physical Review B. 90:241204.

Steiauf D, Lyons JL, Janotti A, Van de Walle CG. 2014. First-principles study of vacancy-assisted impurity diffusion in ZnO. APL Materials. 2:096101.

Gordon L, Abu-Farsakh H, Janotti A, Van de Walle CG. 2014. Hydrogen bonds in Al2O3 as dissipative two-level systems in superconducting qubits. Scientific reports. 4

Choi M, Janotti A, Van de Walle CG. 2014. Hydrogen Passivation of Impurities in Al2O3. ACS applied materials & interfaces. 6:4149–4153.

Himmetoglu B, Janotti A, Bjaalie L, Van de Walle CG. 2014. Interband and polaronic excitations in YTiO 3 from first principles. Physical Review B. 90:161102.

Yan Q, Janotti A, Scheffler M, Van de Walle CG. 2014. Origins of optical absorption and emission lines in AlN. Applied Physics Letters. 105:111104.

Janotti A, Varley JB, Choi M, Van de Walle CG. 2014. Vacancies and small polarons in SrTiO 3. Physical Review B. 90:085202.

2013

Schleife A, Varley JB, Janotti A, Van de Walle CG. 2013. Conductivity and transparency of TiO2 from first principles. SPIE Solar Energy+ Technology.

Choi M, Lyons JL, Janotti A, Van de Walle CG. 2013. Impact of native defects in high-k dielectric oxides on GaN/oxide metal–oxide–semiconductor devices. physica status solidi (b). 250:787–791.

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Acknowledgements

Please acknowledge the CSC in publications and presentations if you are using our facilities computing resources in your research.

Use was made of computational facilities purchased with funds from the National Science Foundation (CNS-1725797) and administered by the Center for Scientific Computing (CSC). The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center (MRSEC; NSF DMR 1720256) at UC Santa Barbara.