217 citations · 814 across the 33 of their papers we have counts for
3 papers · 2 filters
GW electronic structure calculations of Co doped ZnO
Dennis Franke, Michael Lorke, Thomas Frauenheim +1
Recently the point defect responsible for the intra-3 luminescence of cobalt in doped ZnO samples has been indentified\,\cite{pssb2019}. In this work we further extend our inves…
A Koopmans-compliant screened exchange potential with correct asymptotic behavior for semiconductors
Michael Lorke, Peter Deák, Thomas Frauenheim
The performance of density functional theory depends largely on the approximation applied for the exchange functional. We propose here a novel screened exchange potential for semic…
Impact of intrinsic and extrinsic imperfections on the electronic and optical properties of MoS2
J. Klein, A. Kerelsky, M. Lorke +11
Intrinsic and extrinsic disorder from lattice imperfections, substrate and environment has a strong effect on the local electronic structure and hence the optical properties of ato…