Spin-Orbit Coupling in the Band Structure of Magnesium and other Hexagonal-Close-Packed Metals

Abstract

A calculation of the spin-orbit splitting of the energy levels at the corner of the Brillouin zone in Mg is performed using a six orthogonalized-plane-wave approximation. The parameters of the wave functions were taken from an existing calculation by one of the authors. The corresponding splittings for Be, Zn, Cd, and Tl are estimated from spectroscopic values of the atomic splittings. The changes in the topological properties of the Fermi surface caused by the spin-orbit splitting are discussed as well as the implications of these changes for various physical properties.