Publications
Filters: Author is Van de Walle, Chris G [Clear All Filters]
Ab initio study of enhanced thermal conductivity in ordered AlGaO3 alloys. Applied Physics Letters. 115:242103.
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2019. Auger Recombination in GaAs from First Principles. ACS Photonics. 1:643–646.
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2014. Band alignments and polarization properties of BN polymorphs. Applied Physics Express. 7:031001.
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2014. Band alignments and polarization properties of the Zn-IV-nitrides. Journal of Materials Chemistry C.
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2020. Band alignments between SmTiO3, GdTiO3, and SrTiO3. Journal of Vacuum Science & Technology A. 34:061102.
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2016. Brillouin zone and band structure of $\beta$-Ga2O3. physica status solidi (b). 252:828–832.
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2015. Computationally predicted energies and properties of defects in GaN. NPJ Computational Materials. 3:1.
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2017. Conductivity and transparency of TiO2 from first principles. SPIE Solar Energy+ Technology.
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2013. Determination of the Mott-Hubbard gap in GdTiO 3. Physical Review B. 92:085111.
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2015. Effects of In profile on simulations of InGaN/GaN multi-quantum-well light-emitting diodes. Applied Physics Letters. 105:083507.
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2014. Effects of strain on the band structure of group-III nitrides. Physical Review B. 90:125118.
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2014. Electrical compensation mechanism in fluorine-doped SnO2. Applied Physics Letters. 111:152107.
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2017. Electron and chemical reservoir corrections for point-defect formation energies. Physical Review B. 93:165206.
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2016. Electronic and protonic conduction in LaFeO 3. Journal of Materials Chemistry A.
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2017. Ferroelastic switching of doped zirconia: Modeling and understanding from first principles. Physical Review B. 90:144109.
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2014. First-principles analysis of electron transport in BaSnO 3. Physical Review B. 95:205202.
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2017. First-principles calculations of hyperfine interaction, binding energy, and quadrupole coupling for shallow donors in silicon. npj Computational Materials. 6:1–9.
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2020. First-principles calculations of indirect Auger recombination in nitride semiconductors. arXiv preprint arXiv:1412.7555.
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2014. First-principles calculations of optical transitions at native defects and impurities in ZnO. Oxide-based Materials and Devices IX.
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2018. First-principles characterization of defects in WO 3. Oxide-based Materials and Devices IX.
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2018. First-principles study of antisite defects in perovskite stannates. Journal of Applied Physics. 126:195701.
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2019. First-principles study of direct and indirect optical absorption in BaSnO3. Applied Physics Letters. 112:062106.
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2018. First-principles study of electron-phonon interactions and transport in anatase TiO 2. Physical Review B. 100:121113.
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2019. First-principles study of high-field-related electronic behavior of group-III nitrides. Physical Review B. 90:121201.
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2014. First-principles study of the mobility of SrTiO 3. Physical Review B. 90:241204.
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2014.