Spin-Orbit Coupling in Ionic Crystals with Zincblende and Wurtzite Structures

Abstract

The spin-orbit couplings in the valence bands of the zincblende and wurtzite structures such as cuprous halides and ZnO are investivigated in the tight-binding approximation. It is shown that the d-orbital of the cation contributes a negative term to the spin-orbit coupling in the valence band at k =0 in these compounds and, as a result of it, the spin-orbit splittings in the valence bands of CuCl and ZnO are inverted.