Co^(2+)离子在CsMgCl_3晶体中的g因子和超精细结构常数研究  

Theoretical Calculations of the g Factors and Hyperfine Structure Constants for Co^(2+) in CsMgCl_3 Crystal

作　　者：董会宁[1] 邬劭轶[2] 

机构地区：[1]四川师范大学固体研究所,成都610066 [2]四川大学材料科学系,成都610064

出　　处：《四川大学学报（自然科学版）》2002年第5期865-868,共4页Journal of Sichuan University(Natural Science Edition)

摘　　要：用基团模型的 3d7离子在三角对称下的高阶微扰公式计算了CsMgCl3 晶体中Co2 + 杂质中心的 g因子g∥ ,g⊥ 和超精细结构常数A∥ 和A⊥ .计算中 ,不仅考虑了基态和激发态间的组态相互作用效应 ,而且考虑了 3d7离子d轨道与配体 p轨道之间的共价效应 ,与这两种效应相关的参数可由所研究晶体的光谱和结构数据得到 .在考虑了键长与键角的微弱畸变后 。The g factors g ∥, g ⊥ and hyperfine structure constants A ∥, A ⊥ for trigonal Co 2+ centers in CsMgCl 3∶Co 2+ crystals are calculated from the high-order perturbation formulas based on the cluster approach. In the calculation, the contributions from covalency effect and configuration interaction effect are considered and the parameters related to the both effects are obtained from the optical spectrum and the structure dada of the studied system. The differences of the bond length and the angle are also considered. The results are in good agreement with the observed values.

关 键 词：G因子 超精细结构常数 电子顺磁共振 CsMgCl3晶体 CO^2+离子 晶体场理论 共价效应 

分 类 号：O731[理学—晶体学]