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2014

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.

2015

Peelaers H, Van de Walle CG. 2015. Brillouin zone and band structure of $\beta$-Ga2O3. physica status solidi (b). 252:828–832.

Peelaers H, Steiauf D, Varley JB, Janotti A, Van de Walle CG. 2015. (In x Ga 1- x) 2 O 3 alloys for transparent electronics. Physical Review B. 92:085206.

2016

Zhu Z, Peelaers H, Van de Walle CG. 2016. Hydrogen intercalation in MoS 2. Physical Review B. 94(8):085426.

2017

Zhu Z, Peelaers H, Van de Walle CG. 2017. Electronic and protonic conduction in LaFeO 3. Journal of Materials Chemistry A.

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.

Peelaers H, Van de Walle CG. 2017. Lack of quantum confinement in Ga 2 O 3 nanolayers. Physical Review B. 96:081409.

Peelaers H, Van de Walle CG. 2017. Sub-band-gap absorption in Ga2O3. Applied Physics Letters. 111:182104.

2018

Wang W, Peelaers H, Shen J-X, Van de Walle C.G. 2018. Carrier-induced absorption as a mechanism for electrochromism in tungsten trioxide. MRS Communications. :1-6.

Wang W, Peelaers H, Shen J-X, Janotti A, Van de Walle CG. 2018. First-principles characterization of defects in WO 3. Oxide-based Materials and Devices IX.

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.

Wang W, Peelaers H, Shen J-X, Janotti A, Van de Walle CG. 2018. Impact of point defects on electrochromism in WO 3. Oxide-based Materials and Devices IX.

2019

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.

Kang Y, Peelaers H, Van de Walle CG. 2019. First-principles study of electron-phonon interactions and transport in anatase TiO 2. Physical Review B. 100:121113.

Peelaers H, Van de Walle CG. 2019. Phonon-and charged-impurity-assisted indirect free-carrier absorption in Ga 2 O 3. Physical Review B. 100:081202.

2020

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.

Wang W, Kang Y, Peelaers H, Krishnaswamy K, Van de Walle CG. 2020. First-principles study of transport in WO 3. Physical Review B. 101:045116.

Mu S, Wang M, Peelaers H, Van de Walle CG. 2020. First-principles surface energies for monoclinic Ga2O3 and Al2O3 and consequences for cracking of (Al x Ga1- x) 2O3. APL Materials. 8:091105.

Acknowledgements

Please acknowledge the CSC in publications and presentations if you are using our facilities computing resources in your research.

Use was made of computational facilities purchased with funds from the National Science Foundation (CNS-1725797) and administered by the Center for Scientific Computing (CSC). The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center (MRSEC; NSF DMR 1720256) at UC Santa Barbara.