Abstract
In this paper, complete high-order perturbation formulas are established based not only on the contributions of the spin–orbit coupling effect of the central ion and the ligands, but also on that of the charge-transfer levels. The electron paramagnetic resonance g-factors of ZnS:V3+, ZnSe:V3+, and ZnTe:V3+ crystals are calculated from the formulas. The calculations of the EPR g-factors agree well with the experimental values. The contribution rate of the charge-transfer levels (|ΔgT/ΔgF|) are 20.16%, 24.86%, and 24.87% for ZnS:V3+, ZnSe:V3+, and ZnTe:V3+ crystals, respectively.
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