Publications

Filters: Author is Van de Walle, Chris G  [Clear All Filters]
Journal Article
Kang Y, Krishnaswamy K, Peelaers H, Van de Walle CG.  2017.  Fundamental limits on the electron mobility of $\beta$-Ga2O3. Journal of Physics: Condensed Matter. 29:234001.
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.
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.
Kang Y, Peelaers H, Krishnaswamy K, Van de Walle CG.  2018.  First-principles study of direct and indirect optical absorption in BaSnO3. Applied Physics Letters. 112:062106.
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.
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.
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.
Zhu Z, Peelaers H, Van de Walle CG.  2017.  Electronic and protonic conduction in LaFeO 3. Journal of Materials Chemistry A.
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.
Kang Y, Van de Walle CG.  2017.  Electrical compensation mechanism in fluorine-doped SnO2. Applied Physics Letters. 111:152107.
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.
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.
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, Van de Walle CG.  2017.  Computationally predicted energies and properties of defects in GaN. NPJ Computational Materials. 3:1.
Peelaers H, Van de Walle CG.  2015.  Brillouin zone and band structure of $\beta$-Ga2O3. physica status solidi (b). 252:828–832.
Bjaalie L, Azcatl A, McDonnell S, Freeze CR, Stemmer S, Wallace RM, Van de Walle CG.  2016.  Band alignments between SmTiO3, GdTiO3, and SrTiO3. Journal of Vacuum Science & Technology A. 34:061102.
Dreyer CE, Lyons JL, Janotti A, Van de Walle CG.  2014.  Band alignments and polarization properties of BN polymorphs. Applied Physics Express. 7:031001.
Steiauf D, Kioupakis E, Van de Walle CG.  2014.  Auger Recombination in GaAs from First Principles. ACS Photonics. 1:643–646.

Pages