Investigations of the zero-field splittings and g factors for the rhombic Cr 3+–Li + and Cr 3+–Na + defect centers in Cs 2CdCl 4 crystals

Abstract

The high-order perturbation formulas for the zero-field splitting parameters D and E, and g factor g x, g y, g z for 3d 3 ions in rhombic symmetry are derived by using a two spin–orbit coupling parameter model, in which both the contributions from the spin–orbit coupling of central d 3 ion and that of the ligands are considered. From these formulas, spin Hamiltonian parameters for the rhombic defect centers Cr 3+–Li + and Cr 3+–Na + in Cs 2CdCl 4 crystals are calculated by considering the suitable defect-induced lattice distortions. The results agree well with the observed values. The contributions to spin Hamiltonian parameters from the spin–orbit coupling of ligands are discussed.