掺入Mg^(2+)对CsNiCl_3晶体的基态能级、零场分裂参量及Jahn-Teller效应的影响  

The effect of doping CsNiCl_3 crystal with Mg^(2+) on its ground level and Zero-field splitting parameters with Jahn-Teller effect

作　　者：殷春浩[1] 焦杨[1] 宋宁[1] 茹瑞鹏[1] 杨柳[1] 张雷[1] 

机构地区：[1]中国矿业大学理学院,徐州221008

出　　处：《物理学报》2006年第10期5471-5478,共8页Acta Physica Sinica

基　　金：国家教育部留学回国人员实验室建设科研基金(批准号:2003.18);中国矿业大学优秀创新团队基金(批准号:2004ZCX012)资助的课题.~~

摘　　要：应用不可约张量理论构造了三角对称晶场中3d2/3d8态离子的45阶可完全对角化的微扰哈密顿矩阵,在考虑了以前工作中被忽略的自旋-自旋耦合作用的基础上计算了CsNiCl3晶体和CsNiCl3:Mg2+晶体的基态能级、晶体结构、零场分裂参量和Jahn-Teller效应,研究了掺入Mg2+对CsNiCl3晶体的光谱、零场分裂参量及Jahn-Teller效应的影响和自旋单重态对基态能级的贡献,发现掺杂使得晶体结构产生畸变,从而改变晶体光谱的精细结构和零场分裂参量,不改变Jahn-Teller效应的分裂规律但改变分裂的大小.The completely diagonalized Hamihonian matrices of 3d^2/3d^8 ion configuration in the trigonal symmetry have been established by irreducible representation method. Taken into account the influence of the spin-spin coupling interactions omitted in previous publications, the spectra and the constants of crystal structure and zero-field splitting parameters of CsNiCl3 crystal and CsNiCl3 ： Mg^2＋ crystal are calculated and the influence of the doping to the spectra, the constants of crystal structure, zero- field splitting parameters and Jahn-Teller effect are studied. The results show that doping can change the structure of crystal which brings about the changes in the spectra and zero-field splitting parameters as well as Jahn-Teller effect.

关 键 词：基态能级 掺杂 零场分裂 自旋-自旋耦合 

分 类 号：O482.525[理学—固体物理]