2 papers
cond-mat.mtrl-sci2020
Pentaoctite phase: A new group V allotrope
Erika Nascimento Lima, Andreia Luisa da Rosa, Thomas Frauenheim
By performing firt-principles electronic calculations we propose new a phase of group-V allotropes of antimonene, arsenene and phosphorene in the pentaoctite structure. By calculat…
cond-mat.mtrl-sci2019
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…