材料期刊网

By successively taking into account various interactions for d(2) ions in trigonally distorted cubic crystal fields, detailed analyses, derivations and calculations of the zero-field splitting (ZFS) and g factors of the ground state have been carried out; and their physical essentials and origins have been clearly revealed. The mistakes and shortcomings in some references have been corrected and improved. The calculated results are in excellent agreement with experimental data and much better than those of previous work. It is found that both the combined action of the trigonal field and spin-orbit interaction and the interaction between the ground state and excited states are quite necessary for causing ZFS of the ground state, and both the spin-orbit interaction and the admixture between the ground state and excited states are necessary for causing the deviation of g factors of the ground state from spin-only values.