Publications

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F

Lyons JL, Varley JB, Janotti A, Van de Walle CG. 2018. First-principles calculations of optical transitions at native defects and impurities in ZnO. Oxide-based Materials and Devices IX.

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.

E

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.

D

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.

C

Dreyer CE, Janotti A, Van de Walle CG, Vanderbilt D. 2016. Correct Implementation of Polarization Constants in Wurtzite Materials and Impact on III-Nitrides. Physical Review X. 6(2):021038.

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

B

Krishnaswamy K, Bjaalie L, Himmetoglu B, Janotti A, Gordon L, Van de Walle CG. 2016. BaSnO3 as a channel material in perovskite oxide heterostructures. Applied Physics Letters. 108(8):083501.

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

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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.