The covalence effect of energy levels of ZnS:Mn2+

Abstract

The contribution of the different covalence for t2 and e orbitals must be considered in the investigation of the optical and magnetic properties of the transition metal ion in II–VI and III–V semiconductors. In present paper, two covalent parameters Nt and Ne associated with t2 and e orbitals have been adopted to describe the covalence. The energy matrices considering the different covalence for t2 and e orbitals have been provided for d5 ions in crystal. These matrices show that the contribution from the Racah parameter A cannot be neglected in calculation of energy-level of d5 ions in covalent crystal. The calculated results using the matrix show that the energy levels of E4 and A14 states split, and the energy-level difference between E4 and A14 states increases with increase of the different covalence between t2 and e orbitals. These energy levels are always degenerate, when the different covalence for t2 and e orbitals is neglected. By using the energy matrices, the energy-level of ZnS:Mn2+ has been calculated. The calculated energy levels of ZnS:Mn2+ are in good agreement with the experiments.