July 15, 1976Physical review. B, Solid state2,009 citations
Nonlocal pseudopotential calculations for the electronic structure of eleven diamond and zinc-blende semiconductors
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Abstract
An empirical nonlocal pseudopotential scheme is employed to calculate the electronic structure of eleven semiconductors: Si, Ge, -Sn, GaP, GaAs, GaSb, InP, InAs, InSb, ZnSe, and CdTe. Band structures, reflectivity spectra, electronic densities of states, and valence charge densities are presented and compared to experimental results. Improved optical gaps, optical critical-point topologies, valence-band widths, and valence charge distributions are obtained as compared to previous local pseudopotential results.