Filters: Author is Van de Walle, Chris G  [Clear All Filters]
Journal Article
Mu S, Peelaers H, Van de Walle CG.  2019.  Ab initio study of enhanced thermal conductivity in ordered AlGaO3 alloys. Applied Physics Letters. 115:242103.
Wang M, Mu S, Van de Walle CG.  2021.  Adsorption and Diffusion of Aluminum on β-Ga2O3 (010) Surfaces. ACS Applied Materials & Interfaces. 13:10650–10655.
Steiauf D, Kioupakis E, Van de Walle CG.  2014.  Auger Recombination in GaAs from First Principles. ACS Photonics. 1:643–646.
Dreyer CE, Lyons JL, Janotti A, Van de Walle CG.  2014.  Band alignments and polarization properties of BN polymorphs. Applied Physics Express. 7:031001.
Adamski NL, Wickramaratne D, Van de Walle CG.  2020.  Band alignments and polarization properties of the Zn-IV-nitrides. Journal of Materials Chemistry C.
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.
Peelaers H, Van de Walle CG.  2015.  Brillouin zone and band structure of $\beta$-Ga2O3. physica status solidi (b). 252:828–832.
Lyons JL, Van de Walle CG.  2017.  Computationally predicted energies and properties of defects in GaN. NPJ Computational Materials. 3:1.
Rowberg AJE, Weston L, Van de Walle CG.  2021.  Defect Chemistry and Hydrogen Transport in La/Sr-Based Oxyhydrides. The Journal of Physical Chemistry C. 125:2250–2256.
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.
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.
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.
Kang Y, Van de Walle CG.  2017.  Electrical compensation mechanism in fluorine-doped SnO2. Applied Physics Letters. 111:152107.
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.
Zhu Z, Peelaers H, Van de Walle CG.  2017.  Electronic and protonic conduction in LaFeO 3. Journal of Materials Chemistry A.
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.
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.
Swift MW, Peelaers H, Mu S, Morton JJL, Van de Walle CG.  2020.  First-principles calculations of hyperfine interaction, binding energy, and quadrupole coupling for shallow donors in silicon. npj Computational Materials. 6:1–9.
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.
Kc S, Rowberg AJE, Weston L, Van de Walle CG.  2019.  First-principles study of antisite defects in perovskite stannates. Journal of Applied Physics. 126:195701.
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.