CaF2：Co^2＋光谱和顺磁g因子的统一解释  

Unified Explanation of the Optical Spectra and Paramagnetic g Factor of CaF_2:Co^(2+)

作　　者：谢林华[1] 朱世富[1] 

机构地区：[1]四川大学材料科学系

出　　处：《波谱学杂志》2008年第2期250-256,共7页Chinese Journal of Magnetic Resonance

基　　金：四川省教育厅科研基金青年项目(2006B036)资助

摘　　要：基于半自洽场d轨道理论和完全对角化方法,从杂质局部结构统一解释了CaF2:Co2+的光谱和顺磁g因子.杂质局部结构存在塌缩效应,但仍保持八配位立方对称.在此基础上,用微扰法和完全对角化方法讨论了g因子对晶场参量Dq的依赖关系.Macfarlane的g因子三阶微扰公式是好的近似公式,但随着Dq的减小,其有效性变差.最后,文章讨论了基于完全对角化和自旋哈密顿理论的g因子公式的适用性,及其在轨道简并情况下的困难.Based on the semi-self-constant-field （semi-SCF） d-orbital model and the complete energy matrix diagonalization procedure （CDP）, the optical spectra and g factor of CaF2：Co^2＋ were explained from the local structure of the impurities. The local structure was shown to have collapse effects, but remain an eight-coordinate cubic symmetry. In addition, the dependence of the g factor on the crystal splitting parameter Dq was discussed by the perturbation method （PTM） and CDP. The third order perturbation formula proposed by Macfarlane was shown to be a good approximation, but its validity became worse with decreasing Dq. At last, the applicability of the g formulae constructed on the basis of CDP and spin Hamiltonian theory, together with the difficulties in the case of orbital degeneration, were discussed.

关 键 词：晶体场 顺磁G因子 光学和磁学性质 

分 类 号：O737[理学—晶体学]