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First-principles studies of orbital and spin-orbit properties of GaAs, GaSb, InAs, and InSb zinc-blende and wurtzite semiconductors

Gmitra, Martin ; Fabian, Jaroslav


We employ first-principles techniques tailored to properly describe semiconductors (semilocal exchange potential added to the exchange-correlation functional), to obtain the electronic band structures of both the zinc-blende and wurtzite phases of GaAs, GaSb, InAs, and InSb. We extract the spin-orbit fields for the relevant valence and conduction bands at the zone center, by fitting the spin ...


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