自旋单态对3d^2/3d^8离子在三角场中的零场分裂和顺磁g因子的影响  

Influence of Spin Singlet on Zero Field Splitting and g Factors of 3d^2/3d^8 Ions in Trigonal Field

作　　者：谢林华[1] 

机构地区：[1]四川师范大学物理与电子工程学院,四川成都610066

出　　处：《四川师范大学学报（自然科学版）》2009年第6期775-780,共6页Journal of Sichuan Normal University（Natural Science）

基　　金：四川省教育厅自然科学青年基金(2006B036)资助项目

摘　　要：根据Sugano-Tanabe强场方案,建立了3d2/3d8离子在C3v对称下的完全哈密顿矩阵(45×45阶)和只包括自旋三重态的哈密顿矩阵(30×30阶).以α-Al2O3:V3+、LiNbO3:Ni2+和CsNiCl3为例,研究了自旋单态对3d2/3d8离子在三角场中的基态零场分裂、顺磁g因子及光谱精细结构的影响.计算结果表明,自旋单态对光谱精细结构和顺磁g因子影响较小,而对零场分裂的影响则是不可忽略的.这种影响的实质是多重态之间存在着相互作用,这意味着多重态之间的相互作用是零场分裂的一种重要机制.According to Sugano-Tanabe＇ s strong field scheme, both complete Hamihonian matrix （45 × 45 ） and the Hamihonian matrix only including spin triplets （30 ×30） of d^2/8 ions in C3v symmetry, are constructed. In cases of α-Al2O3：V^3＋、LiNbO3：Ni^2＋ and CsNiCl3 , the influences of spin singlet on zero field splitting, paramagnetic g factors, and fine structures of 3d^2/3d^8 ions in trigonal field are studied. The calculated results show that, the influence of spin singlet on optical structure and paramagnetic g factors is really small, but as for zero field splitting, such influence could not be omitted. The essentials of such influence are the interactions between multiplets, which means the interactions between multiplets is an important mechansm for zero field splitting.

关 键 词：光谱学 光学和磁学性质 晶体场 顺磁G因子 

分 类 号：O737[理学—晶体学]