Publications
Filters: Author is Van de Walle, Chris G [Clear All Filters]
Electron and chemical reservoir corrections for point-defect formation energies. Physical Review B. 93:165206.
.
2016. Electrical compensation mechanism in fluorine-doped SnO2. Applied Physics Letters. 111:152107.
.
2017. Effects of strain on the band structure of group-III nitrides. Physical Review B. 90:125118.
.
2014. Effects of In profile on simulations of InGaN/GaN multi-quantum-well light-emitting diodes. Applied Physics Letters. 105:083507.
.
2014. Determination of the Mott-Hubbard gap in GdTiO 3. Physical Review B. 92:085111.
.
2015. Defect Chemistry and Hydrogen Transport in La/Sr-Based Oxyhydrides. The Journal of Physical Chemistry C. 125:2250–2256.
.
2021. Computationally predicted energies and properties of defects in GaN. NPJ Computational Materials. 3:1.
.
2017. Brillouin zone and band structure of $\beta$-Ga2O3. physica status solidi (b). 252:828–832.
.
2015. Band alignments between SmTiO3, GdTiO3, and SrTiO3. Journal of Vacuum Science & Technology A. 34:061102.
.
2016. Band alignments and polarization properties of the Zn-IV-nitrides. Journal of Materials Chemistry C.
.
2020. Band alignments and polarization properties of BN polymorphs. Applied Physics Express. 7:031001.
.
2014. Auger Recombination in GaAs from First Principles. ACS Photonics. 1:643–646.
.
2014. Adsorption and Diffusion of Aluminum on β-Ga2O3 (010) Surfaces. ACS Applied Materials & Interfaces. 13:10650–10655.
.
2021. Ab initio study of enhanced thermal conductivity in ordered AlGaO3 alloys. Applied Physics Letters. 115:242103.
.
2019. Impact of point defects on electrochromism in WO 3. Oxide-based Materials and Devices IX.
.
2018. First-principles characterization of defects in WO 3. Oxide-based Materials and Devices IX.
.
2018. First-principles calculations of optical transitions at native defects and impurities in ZnO. Oxide-based Materials and Devices IX.
.
2018. Conductivity and transparency of TiO2 from first principles. SPIE Solar Energy+ Technology.
.
2013.