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A

Van de Walle C.G, Pelesa A., Janottia A., Wilson-Shorta G.B.. 2008. Atomic and electronic structure of hydrogen-related centers in hydrogen storage materials. Physica B. Physics of Condensed Matter

C

Lyons J.L, Janotti A., Van de Walle C.G. 2010. Carbon impurities and the yellow luminescence in GaN. Appl. Phys. Lett.. 97:152108.

Limpijumnong S., Reunchan P., Janotti A., Van de Walle C.G. 2008. Carbon-nitrogen molecules in GaAs and GaP. Phys. Rev. B. 77:195209.

Van de Walle C.G, Lyons J.L, Janotti A.. 2010. Controlling the conductivity of InN. physica status solidi (a). 207:1024.

D

Weber J.R, Janotti A., Rinke P., Van de Walle C.G. 2007. Dangling-bond defects and hydrogen passivation in germanium. Appl. Phys. Lett.. 91:142101.

Hoang K., Janotti A., Van de Walle C.G. 2012. Decomposition mechanism and the effects of metal additives on the kinetics of lithium alanate. Phys. Chem. Chem. Phys.. 14:2840.

E

Janotti A., Segev D., Van de Walle C.G. 2006. Effects of cation d states on III-nitride and II-oxide wide-band-gap semiconductors. Physical Review B. 74:45202.

Janotti A., Jalan B., Stemmer S., Van de Walle C.G. 2012. Effects of doping on the lattice parameter of SrTiO3. Appl. Phys. Lett.. 100:262104.

Dreyer C.E, Janotti A., Van de Walle C.G. 2013. Effects of strain on the electron effective mass in GaN and AlN. Appl. Phys. Lett.. 102:142105.

Peles A., Janotti A., Van de Walle C.G. 2008. Electrical activity of hydrogen impurities in GaSb: First-principles calculations. Phys. Rev. B. 78:35204.

Segev D., Van de Walle C.G. 2006. Electronic structure of nitride surfaces. Journal of Crystal Growth, First International Symposium on Growth of Nitrides - ISGN-1. 300:199-203.

G

Varley J.B, Janotti A., Van de Walle C.G. 2010. Group-V impurities in SnO2 from first-principles calculations. Phys. Rev. B. 81:245216.

H

Janotti A., Varley J.B, Rinke P., Umezawa N., Kresse G., Van de Walle C.G. 2010. Hybrid functional studies of the oxygen vacancy in TiO2. Phys. Rev. B. 81:85212.

Oo W.MHlaing, Tabatabaei S., McCluskey M.D, Varley J.B, Janotti A., Van de Walle C.G. 2010. Hydrogen donors in SnO2 studied by infrared spectroscopy and first-principles calculations. Phys. Rev. B. 82:193201.

Varley J.B, Janotti A., Singh A.K, Van de Walle C.G. 2009. Hydrogen interactions with acceptor impurities in SnO2: First-principles calculations. Phys. Rev. B. 79:245206.

Varley J.B, Janotti A., Singh A.K, Van de Walle C.G. 2009. Hydrogen interactions with acceptor impurities in SnO2: First-principles calculations. Phys. Rev. B. 79:245206.

Janotti A., Van de Walle C.G. 2007. Hydrogen multicenter bonds. Nature Materials. 6:44-47.

I

Weber J.R, Janotti A., Van de Walle C.G. 2010. Intrinsic and extrinsic causes of electron accumulation layers on InAs surfaces. Appl. Phys. Lett.. 97:192106.

M

Hoang K., Van de Walle C.G. 2012. Mechanism for the decomposition of lithium borohydride. International Journal of Hydrogen Energy. 37:5825.

Hoang K., Janotti A., Van de Walle C.G. 2012. Mechanisms for the decomposition and dehydrogenation of Li amide/imide. Phys. Rev. B. 85:64115.

Van de Walle C.G, Segev D.. 2007. Microscopic origins of surface states on nitride surfaces. J. Appl. Phys.. 101:81704.

Janotti A., Reunchan P., Limpijumnong S., Van de Walle C.G. 2008. Mutual Passivation of Electrically Active and Isovalent Impurities in Dilute Nitrides. Phys. Rev. Lett.. 100:45505.

N

Janotti A., Van de Walle C.G. 2006. New insights into the role of native point defects in ZnO. Journal of Crystal Growth. 287:58-65.

O

Umezawa N., Janotti A., Rinke P., Chikyow T., Van de Walle C.G. 2008. Optimizing optical absorption of TiO2 by alloying with TiS2. Appl. Phys. Lett.. 92:41104.

Segev D., Van de Walle C.G. 2006. Origins of Fermi-level pinning on GaN and InN polar and nonpolar surfaces. Europhys. Lett.. 76:305.

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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.