Effective Hamiltonian Describing the Electronic States in Bismuth-Type Crystals. II

概要

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An effective Hamiltonian consistent with the crystal symmetry which operates on the p-type Bloch wave function is constructed and solved for the electronic states near the Fermi level at the points T and L in the Brillouin zone of the three semimetallic elements, arsenic, antimony and bismuth. It is shown that the relative displacement of the sublattices of the crystal is responsible for the order of energy levels at T or L while the shear distortion mainly contributes to stabilizing the semimetallic structure. Parameters in the Hamiltonian in cases of arsenic and antimony are determined so as to reproduce the numerical results of the pseudopotential and OPW calculation. With the parameters extrapolated to the case of bismuth, the energy levels at T and L in bismuth are calculated taking into account the spin-orbit interaction. The results are in good agreement with those of the pseudopotential calculation by Golin.
社団法人日本物理学会の論文
1970-09-05