材料期刊网

The empirical superposition model has been applied to study the zero-field splitting and its stress; dependence for 3d(5) ions in some crystals. In the calculations, the reasonable local lattice relaxation and local compressibility changes have been taken into account in the case of charge misfitting substitution. The calculated intrinsic parameters (b) over bar(2)(R(0)) show good agreement with the normal (b) over bar(2)(R(0)) which is obtained from the 3d(5) ions in many crystals. So, the disparity between the parameter (b) over bar(2)(R(0)) obtained in the case of isocharge substitution and that in the case of charge misfitting substitution shown in the previous literature can be removed and the superposition model is applicable to the case of charge misfitting substitution.