Browsing Institutt for fysikk by Author "Andersson, Stefan"
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The role of pressure and defects in the wurtzite to rock salt transition in cadmium selenide
Lervik, Anders; Svenum, Ingeborg-Helene; Wang, Zhaohui; Cabriolu, Raffaela; Riccardi, Enrico; Andersson, Stefan; van Erp, Titus Sebastiaan (Peer reviewed; Journal article, 2022)Using molecular dynamics and path sampling techniques we investigated the effect of pressure and defects in the wurtzite to rock salt transition in cadmium selenide (CdSe). In the pressure range 2–10 GPa, rate constants ... -
Surface and bulk properties of chromium oxide: Implications for reduction by methane
Skjelbred, Kristin Marie; Åstrand, Per-Olof; Støvneng, Jon Andreas; Andersson, Stefan (Journal article; Peer reviewed, 2015)A computational method for Cr2O3 and Cr3C2 has been established based on a systematic investigation of functionals, basis sets and corrections for dispersion, self-interaction and relativistic effects. The suggested method ...