Calculations of the Spin-Lattice Coupling Coefficients Fij and Zij for MgO:Co2+ Crystal

Abstract

According to a uniform and simple method of calculating spin-lattice coupling coefficients and the perturbation formulas of gi factors and hyperfine structure constants Ai based on the cluster approach for 3d7 ions in cubic, tetragonal and trigonal octahedral crystal fields, the spin-lattice coupling coefficients Fij (F11, F12, F44),Zij (Z11, Z12, Z44) and also g factor and hyperfine constant A for MgO:Co2+ are calculated by using the parameters obtained from the optical spectra without adjustable parameters. The calculated results show good agreement with the observed values. The difficulty in explaining the coefficients Fij and Zij is therefore removed.