Abstract

A model Hamiltonian interpolation scheme is presented for determining the electronic structure of the body centred cubic (BCC) transition metals. This scheme is analogous to that given by Smith and Mattheiss (see Phys. Rev. B., vol.9, p.1341 (1974)) for the face centred cubic transition metals. The application of this interpolation scheme to the case of paramagnetic BCC iron yields a bandstructure which is everywhere consistent to within 0.03 Ryd with that calculated by Wood (1962) using the augmented plane wave method.

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