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

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

We report quasiparticle-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 theory (DFT) we systematically study the electronic structure of zinc-blende GaN, ZnO, ZnS and …