摘要
本文推导了3d4／3d6离子在D4h对称下5D、3L（L＝P，D，F，G，H）和1L（L＝S，D，F，G，H）态的哈密顿矩阵元，其中包括晶场、自旋-轨道、自旋-自旋相互作用及Trees’修正．基于这个矩阵，利用完全对角化方法，研究了K2FeF4中Fe2＋离子的EPR零场分裂参量D，a，F，所得结果与实验符合很好．将本文结某与以前研究比较证明晶体中Fe2＋的低自旋态（3L和1L）对零场分裂的贡献是重要的，尤其对四阶零场分裂参量a和F.进一步研究是必要的。
In this paper, we derive the .Hamiltonan matrix of 5D,3L (L = P, D, F, G, H)and L (L = S, D, F, G, I)States, of 3d4 and 3d6 in D4h Symmetry, including the crystal - field (CF), Spinoxbit (SO) and Spin- Spin (SS). Based on,the' matrix, EPR Zero-field splitting (ZFS) Parameters(D,a and F) of Fe2+ ion in K2FeF4 are studied using complete, diagonalizing matrix method. The present results are in good agreement with the experimental datas.To compare the present results with the previous ones Shows that the contribution of the Low spin States 3L和1L of Fe2+ion in crystals is important for the ZFS parameters, espeeially for the iank -4 ZFS Parameters a and F. SO further study is of interest.
