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Journal Article

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

Himmetoglu B, Janotti A. 2016. Transport properties of KTaO3 from first-principles. Journal of Physics: Condensed Matter. 28:065502.

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.

Hwang J, Son J, Zhang JY, Janotti A, Van de Walle CG, Stemmer S. 2013. Structural origins of the properties of rare earth nickelate superlattices. Phys. Rev. B. 87(6):60101.

Hauser AJ, Mikheev E, Kajdos AP, Janotti A. 2016. Small polaron-related recombination in BaxSr1- xTiO3 thin films by cathodoluminescence spectroscopy. Applied Physics Letters. 108:102901.

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

Yan Q, Janotti A, Scheffler M, de Walle V, G C. 2012. Role of nitrogen vacancies in the luminescence of Mg-doped GaN. Applied Physics Letters. 100:142110.

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. 2017. Phase transformations upon doping in WO3. The Journal of Chemical Physics. 146:214504.

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.

Choi M, Janotti A, Van de Walle CG. 2013. Native point defects in LaAlO3 : A hybrid functional study. Phys. Rev. B. 88:214117.

Choi M, Janotti A, Van de Walle CG. 2013. Native point defects and dangling bonds in alpha-Al2O3. Journal of Applied Physics. 113(4):44501.

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).

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.

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.

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.

Lyons JL, Krishnaswamy K, Gordon L, Janotti A, Van de Walle CG. 2016. Identification of microscopic hole-trapping mechanisms in nitride semiconductors. IEEE Electron Device Letters. 37:154–156.

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

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

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.

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.

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.

Krishnaswamy K, Himmetoglu B, Kang Y, Janotti A, Van de Walle CG. 2017. First-principles analysis of electron transport in BaSnO 3. Physical Review B. 95:205202.

Freysoldt C, Lange B, Neugebauer J, Yan Q, Lyons JL, Janotti A, Van de Walle CG. 2016. Electron and chemical reservoir corrections for point-defect formation energies. Physical Review B. 93:165206.

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.

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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.