Abstract
Self-consistent energy band calculations using the OPW method have been performed on cubic ZnS and ZnSe using Slater's, Kohn-Sham's and Liberman's exchange potentials. Term values are given for the four symmetry points T, ≥X, L, and W. The variation of the energy bands with the exchange coefficient is shown to be linear. The imaginary part of the dielectric constant (ϵE2) is calculated by means of a pseudopotential interpolation technique for the three exchange potentials. It is found that both the band gap and the position of the peaks of the ϵE2 curves agree very closely with experiment for the self-consistent results derived from Slater's exchange, while the disagreement is substantial for the self-consistent results derived from Kohn-Sham's and Liberman's exchange potential.
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