Abstract
The primary purpose of this article is to derive some simple expressions which can be used for numerical computation of wavefunctions and energies in band gaps. It is shown that results of the k · p approach to the calculation of complex band structures are consistent with the known properties of complex bands. Diagonalization methods for calculating complex bands are compared to the k · p method and it is shown that both methods are expected to yield identical results. The k · p method is seen to be both conceptually and numerically simpler. Energies as a function of complex k and the wavefunctions in the band gap are obtained for the two-band case. Extension of the two-band case to include additional bands is indicated.
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