材料期刊网

The gyromagnetic factors for Fe(3+) in ZnX (X = O, S, Se, Te) are theoretically studied from the perturbation formula of the g-factor for a 3d(5) ion in tetrahedra based on inclusion of both the crystal-field and the charge-transfer contributions. The related model parameters in the calculations are determined from the cluster approach in a uniform way. The g-shift Delta g (-g - g(s), where g(s) approximate to 2.0023 is the spin-only value) from the charge-transfer contributions is opposite (positive) in sign and much larger in magnitude as compared with that from the crystal-field ones. The importance of the charge-transfer contributions increases rapidly with increasing the covalency and the spin-orbit coupling coefficient of the ligand and thus exhibits the order of O(2-) < S(2-)