掺铜氯化镉晶体的电子顺磁共振谱及局域晶格的理论研究  

Theoretical investigation of EPR spectra and local structure of Cu^(2+)-doped CdCl_2 crystal

作　　者：王利娟[1,2] 张百珊[1] 吴英[3] 

机构地区：[1]内江师范学院物理与电子信息工程学院,四川内江641112 [2]西南民族大学电气信息工程学院,四川成都610041 [3]绵阳师范学院物理与电子工程学院,四川绵阳621000

出　　处：《量子电子学报》2010年第6期665-668,共4页Chinese Journal of Quantum Electronics

基　　金：四川省教育厅科研项目(07ZA045)资助课题

摘　　要：采用晶体场理论和3d^9电子组态在平面四角晶场中的g因子和超精细结构常数A的三阶微扰计算公式以及CdCl_2:Cu^(2+)晶体的局域结构与EPR谱之间的定量关系,合理解释了CdCl_2:Cu^(2+)晶体的EPR谱及局域晶体结构,所得EPR参量与实验观测相符合。研究发现芯极化常数约为0.2827。平面四角键长的变化约为0.013 nm。因此,CdCl_2晶体中掺杂Cu^(2+)后,由于静态Jahn-Teller效应引起的晶格驰豫,导致晶格在平面四角内发生了略微伸长的畸变。By using the crystal-field theory and third-order perturbation formula of g factor and the hyperfine structure constants A for the 3d^9 electronic configuration in the planar tetragonal crystal-field as well as the quantitative relationship between the local lattice structure for the CdCl2：Cu^2＋ and the electron paramagnetic resonance （EPR） spectra, the EPR spectra and local lattice structure for the CdCl2：Cu^2＋ are reasonably explained. The results are well consistent with experimental findings. The core polarization constant 0.2827 was obtained. The variety of the bond length of planar tetragon is 0.013 nm. Thus, when Cu^2＋ is doped in CdC12 crystal, due to the static Jahn-Teller effect, the lattice relaxation leads to the small elongation distortion in the planar tetragon.

关 键 词：光谱学 电子顺磁共振 晶体场理论 掺铜氯化镉 

分 类 号：O737[理学—晶体学]