Multiplet-splitting of the quasi-atomic-like core-valence-valence Auger spectra of zinc metal

Multiplet-splitting of the quasi-atomic-like core-valence-valence (CVV) Aug er spectra of zinc metal is calculated by explicitly considering the so-cal led hole-hole interaction in the final valence states of the Auger transiti on. We assume that before the Auger transition occurs, the occupied valence states relax to screen the core-hole which results in a redistribution of the valence electrons, in particular within the atom that contains a hole i n the core. The supercell method is used to calculate the electronic states concerned by the Auger transition, which is accomplished by the self-consi stent full-potential linearized augmented plane wave method. In each superc ell, one atom is considered to have a core-hole and many others without it. Due to relaxation and screening, the valence states at the site of the Aug er transition are more localized compared with those in the ground-state me tal. The multiplet peaks of the quasi-atomic-like CVV Auger spectra of zinc metal are obtained by calculating the Auger transition matrix elements bet ween the referred states.