材料期刊网

The electron paramagnetic resonance (EPR) parameters g and the hyperfine structure constants A of CO2+ in ZnX (X = S, Se, Te) and CdTe are studied, using the perturbation formulas of the EPR parameters for a 3d(7) ion in tetrahedra based on two mechanism models. In these formulas, both the contributions from the conventional crystal-field (CF) mechanism and those from the charge-transfer (CT) mechanism are taken into account. According to the investigations, the sign of the g-shift DeltagCT from the CT mechanism is the same as DeltagCF from the CF mechanism, whereas the contributions to the A value from the CF and CT mechanisms have opposite signs. Particularly, the contributions to the EPR parameters from the CT mechanism increase rapidly with increase of the spin-orbit coupling coefficient of the ligand and the covalency effect of the systems, i.e. S2- < Se2- < Te2-.