四角对称晶场中3d^3离子零场分裂理论研究  

Theoretical Investigations on Zero-Field Splitting of 3d^3 Ions in Tetragonal Symmetry Crystal Field

作　　者：魏群[1] 杨子元[1] 

机构地区：[1]宝鸡文理学院物理系,陕西宝鸡721007

出　　处：《波谱学杂志》2006年第4期503-508,共6页Chinese Journal of Magnetic Resonance

基　　金：陕西省教育厅自然科学计划项目(05JK139);宝鸡文理学院重点科研项目(ZK2505;ZK2549)

摘　　要：分别采用完全对角化方法和微扰方法讨论了微小磁相互作用对四角对称下基态4B1态和第一激发态2E态零场分裂的影响.结果表明,4B1态零场分裂与微小磁相互作用参量成线性关系,2E态零场分裂主要由二重态决定,磁相互作用和四角晶场对2E态零场分裂的贡献相比较,四角晶场的作用是主要的.Taking slight magnetic interactions （including spin-spin interaction, spin-other-orbit interaction and orbit-orbit interaction） into account and by using complete diagonalization method and perturbation theoretical method, zero-field splitting （ZFS） of ^4B1 and ^2E states for 3d^3 ions was studied in tetragonal symmetry crystal field. The result show that ZFS of the ^4B1 state is linear to the slight magnetic interaction parame- ters, and ZFS of ^2E state mainly depends on spin doublets.

关 键 词：微小磁相互作用 对角化 零场分裂 微扰公式 

分 类 号：O734.3[理学—晶体学]