Angular momentum decomposition of k = 0 Bloch functions in group IV and zincblende crystals

The angular momentum contents of $\text{k}\text{= 0}$ Bloch functions for a number of group IV and zincblende crystals are examined using a pseudopotential approach. The large amplitudes for d and f character functions found even for valence electron wave functions are related to the overlap of p and s symmetry states on different atoms. In zincblende crystals the strength of the d and f components increases around cations and decreases around anions for the valence bands. The f-like component is appreciable for the Γ₁ conduction band particularly around a cation.