材料期刊网

The high-order perturbation formulas of zero-field splitting D and gyromagnetic factors g(parallel to) and g(perpendicular to) for 3d(3) ions in tetragonal symmetry are established by using a two-spin-orbit(SO)-parameter model where the contributions to these EPR parameters from both the SO coupling of the central 3d(3) ions and that of the ligands are considered. From these formulas, the local structural parameters for the tetragonal V2+-V-M centers in MCl:V2+ (M = Na, K, Rb) crystals are estimated from the EPR data. The results are compared with those obtained from the conventional one-SO-parameter model where only the contribution of the SO coupling of central 3d(3) ions is included. The reasonableness of the results based on the two-SO-parameter model is discussed.