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V

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

T

Kioupakis E, Yan Q, Steiauf D, Van de Walle CG. 2013. Temperature and carrier-density dependence of Auger and radiative recombination in nitride optoelectronic devices. New Journal of Physics. 15:125006.

S

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.

Peelaers H, Van de Walle CG. 2017. Sub-band-gap absorption in Ga2O3. Applied Physics Letters. 111:182104.

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.

R

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

P

Rowberg A, Krishnaswamy K, Van de Walle CG. 2020. Prospects for high carrier mobility in the cubic germanates. Semiconductor Science and Technology.

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 H, Adamski N, Mu S, Van de Walle CG. 2021. Piezoelectric effect and polarization switching in Al $ _ ${$1-x$}$ $ Sc $ _x $ N. arXiv preprint arXiv:2105.07325.

Peelaers H, Van de Walle CG. 2019. Phonon-and charged-impurity-assisted indirect free-carrier absorption in Ga 2 O 3. Physical Review B. 100:081202.

Wang W, Janotti A, Van de Walle CG. 2017. Phase transformations upon doping in WO3. The Journal of Chemical Physics. 146:214504.

Van de Walle CG. 2018. PCCP. Phys. Chem. Chem. Phys. 20:12373–12380.

O

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.

Adamski NL, Zhu Z, Wickramaratne D, Van de Walle CG. 2019. Optimizing n-type doping of ZnGeN 2 and ZnSiN 2. Physical Review B. 100:155206.

N

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.

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.

M

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).

L

Hoang K, Van de Walle CG. 2013. LiH as a Li+ and H- ion provider. Solid State Ionics. 253:53–56.

Peelaers H, Van de Walle CG. 2017. Lack of quantum confinement in Ga 2 O 3 nanolayers. Physical Review B. 96:081409.

I

Kioupakis E, Yan Q, Van de Walle CG. 2012. Interplay of polarization fields and Auger recombination in the efficiency droop of nitride light-emitting diodes. Applied Physics Letters. 101(23):231107-231107.

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.

Swift M, Van de Walle CG. 2016. Impact of Point Defects on Proton Conduction in Strontium Cerate. The Journal of Physical Chemistry C. 120:9562–9568.

Wang W, Peelaers H, Shen J-X, Janotti A, Van de Walle CG. 2018. Impact of point defects on electrochromism in WO 3. Oxide-based Materials and Devices IX.

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.