The electron energy structure of AIBIIIC2VIcompounds

The valence band structures of AIBIIIC2VI (AI=Cu, Ag) type compounds are determined with electron state hybridisation phenomena, in particular with d-p resonance hybridisation phenomenon. In the region of the noble metal atom d band localisation the influence of this phenomenon on the density of valence band states curve in Cu compounds is greater than in Ag compounds; this is explained by the lowering of binding energy of the Cu d state centre of gravity in comparison with the Ag d state in the compounds investigated. The hybridised d-p resonance gives rise to p state splitting of the anion and of the other atoms of the compound, and (together with the influence of the crystal field) determines the energy splitting of the noble metal d states in the compounds investigated.