RbFeCl_3晶体的光磁性理论研究

A Theoretical Study of Optical Spectrum and Magnetic Properties RbFeCl 3 Crystal

在Ｄ３ｄ晶场下利用Ｏｈ点群表象方法，构造了ｄ６电子系的完全能量矩阵．使用全组态相互作用方法计算了ＲｂＦｅＣｌ３晶体中Ｆｅ２＋的电子光谱和零场分裂因子，其计算结果与观测数据一致．

The total energy matrices of d 6 eletronic system in the D 3d point group are given by using an O h point group representation.The d-d transition of the Fe 2+ ions in RbFeCl 3 crystal are explained and the zero field splitting is derived with the full configuration and iaceraction method.The calculated results are in agreement with observed values.