Ligand field treatment for the electronic levels of Cr2+ ion in II–VI compound of ZnS

In this work, a full ligand-field energy matrix (210×210) diagonalization treatment is performed on the basis of a central metal ion-ligand covalency model including the ligand spin-orbit coupling. Calculation shows that the optical fine structures and EPR spectra of ZnS:Cr2+ can be interpreted uniformly.