Combining<i>GW</i>calculations with exact-exchange density-functional theory: an analysis of valence-band photoemission for compound semiconductors

Rinke, Patrick; Qteish, Abdallah; Neugebauer, Jörg; Freysoldt, Christoph; Scheffler, Matthias

doi:10.1088/1367-2630/7/1/126

Public

CombiningGWcalculations with exact-exchange density-functional theory: an analysis of valence-band photoemission for compound semiconductors

Published in New Journal of Physics • May 19, 2005

Authors:

Patrick Rinke

Abdallah Qteish

Jörg Neugebauer

Abstract

We report quasi-particle energy calculations of the electronic bandstructure as measured by valence-band photoemission for selected II–VI compounds and group III nitrides. By applying GW as perturbation to the ground state of the fictitious, non-interacting Kohn–Sham electrons of density-functional ...

Subject

Physics

Quasiparticle

Electronic structure

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