Abstract
In the investigation of the optical and magnetic properties of 3dN ion impurities in semiconductors, the contribution of the covalence must be considered. A modified d function (d∗) and two covalent factors associated with the t2 and e orbitals have been adopted for describing this covalence. We present the contribution of the covalent factors to the energy matrix of the d∗7 electron and d∗3 hole system. This suggests that the dN electron system cannot be explained with the d10−N hole system when the covalence is considered. The calculation of the energy levels by the d∗7 energy matrix agrees with the experimental finding of ZnSe:Co2+. - PACS numbers: 71.70.Ch, 71.55.Gs
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