Publications
Filters: Author is Van de Walle, Chris G [Clear All Filters]
Band alignments between SmTiO3, GdTiO3, and SrTiO3. Journal of Vacuum Science & Technology A. 34:061102.
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2016. Electron and chemical reservoir corrections for point-defect formation energies. Physical Review B. 93:165206.
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2016. Hydrogen intercalation in MoS 2. Physical Review B. 94(8):085426.
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2016. Identification of microscopic hole-trapping mechanisms in nitride semiconductors. IEEE Electron Device Letters. 37:154–156.
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2016. Impact of Point Defects on Proton Conduction in Strontium Cerate. The Journal of Physical Chemistry C. 120:9562–9568.
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2016. Metal versus insulator behavior in ultrathin SrTiO 3-based heterostructures. Physical Review B. 94(3):035115(6).
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2016. Point defects, impurities, and small hole polarons in GdTiO 3. Physical Review B. 93:115316.
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2016. Role of oxygen vacancies in crystalline WO 3. Journal of Materials Chemistry C.
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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. Determination of the Mott-Hubbard gap in GdTiO 3. Physical Review B. 92:085111.
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2015. First-principles theory of acceptors in nitride semiconductors. physica status solidi (b). 252:900–908.
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2015. (In x Ga 1- x) 2 O 3 alloys for transparent electronics. Physical Review B. 92:085206.
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2015. Nitride-based high-electron-mobility transistor with single-layer InN for mobility-enhanced channel. Applied Physics Express. 8:024302.
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2015. Sulfur doping of AlN and AlGaN for improved n-type conductivity. physica status solidi (RRL)-Rapid Research Letters. 9:462–465.
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2015. 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. 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. Ferroelastic switching of doped zirconia: Modeling and understanding from first principles. Physical Review B. 90:144109.
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2014. First-principles calculations of indirect Auger recombination in nitride semiconductors. arXiv preprint arXiv:1412.7555.
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2014. 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. First-principles study of vacancy-assisted impurity diffusion in ZnO. APL Materials. 2:096101.
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2014. Hydrogen bonds in Al2O3 as dissipative two-level systems in superconducting qubits. Scientific reports. 4
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2014. Hydrogen Passivation of Impurities in Al2O3. ACS applied materials & interfaces. 6:4149–4153.
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