材料期刊网

A theoretical method for investigating the inter-relation between the EPR parameters and local structure has been established on the basis of the complete energy matrices for 3d(3) configuration ions in both the trigonal and tetragonal ligand fields. By means of this method, the local structure of the octahedral Cr(3+) centres in double molybdates series and spinels series as well as the perovskite-type fluorides series has been studied systematically. Furthermore, the dependence of the EPR zero-field splitting parameter D on the local structure parameters in both trigonal and tetragonal ligand-fields has been revealed, simultaneously. The inter-relation between the EPR parameters D and Delta g(g(parallel to)-g(perpendicular to)) is also elucidated.