材料期刊网

The EPR zero-field splitting parameters and structural distortion of Ni2+-doped CsCdX3 (X = Cl, Br) systems have been studied on the basic of 45f x 45 complete energy matrices for a [image omitted] configuration ion in trigonal ligand field, in which the contributions from the spin-orbit coupling coefficients of the central ions and ligands are taken into account simultaneously. It is shown that the local structure exhibits compression distortions for CsCdX3 (X = Cl, Br):Ni2+ systems, and the contribution from the s.o. coupling coefficient of ligands to the covalent effect should not be neglected. Simultaneously, the relationship between the EPR parameter D and the spin-orbit coupling coefficients (, [image omitted]) as well as the average parameter 1([image omitted]) and the divergent parameter 2([image omitted]) have been discussed.