Studies of the trigonal field parameters and g factors for magnetic semiconductor NaCrS2.

The trigonal field parameters v and v' of magnetic semiconductor NaCrS2 are calculated from the superposition model, and its g factors g parallel and g perpendicular are calculated from the high-order perturbation formulas of 3d3 ions in trigonal symmetry obtained by the one and two spin-orbit coupling parameter models. These calculations are based on the structural data of NaCrS2 crystal. The calculated results suggest that the superposition model is effective to the analyses of the low-symmetry field parameters of 3dn ions in crystals and that the two spin-orbit coupling parameter model (where the contributions from both the spin-orbit coupling parameter of 3dn ion and that of ligand are considered) is preferable to the one spin-orbit coupling parameter model (in which the contribution from only the spin-orbit coupling parameter of 3dn ion is considered) in the explanations of g factors in the cases that ligands have large spin-orbit coupling parameter in 3dn clusters.