Abstract
A convergent method for local pseudopotential band structure calculations, based on a cylindrical coordinate multipole expansion, is generalized to include the spin-orbit interaction. The generalization is necessary for systems that are highly anisotropic and where the spin-orbit interaction is essential, e.g., narrow-gap semiconductor superlattices. The coupled wave equations for the corresponding multipoles are derived and applied to a test case: the low bands of PbSe along the (111) direction. The calculated bands compare well with the PbSe band structure.
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