材料期刊网

The eight optical spectral bands and three spin-Hamiltonian parameters (g factors g//, g and zero-field splitting |D|) of Ni2+ ion in CdCl2 crystal are calculated from the method of diagonalizing the complete energy matrix of 3d8 ions in trigonal symmetry. In the method, the contributions to spin-Hamiltonian parameters from both the spin-orbit coupling parameter of the central 3dn ion, and that of the ligand, are included. The calculated results are consistent with the experimental values. The defect structure of the trigonal Ni2+ impurity center in CdCl2 are acquired from the calculations. The results are discussed.