Improved Ligand-Field Theoretical Calculation of R-Line Pressure-Induced Shift of MgO:V^(2+)  

作　　者：ZHANG Zheng-Jie MA Dong-Ping 

机构地区：[1]Department of Physics, Chengdu University of Technology, Chengdu 610059, China [2]Department of Applied Physics, Sichuan University, Chengdu 610065, China

出　　处：《Communications in Theoretical Physics》2008年第9期781-786,共6页理论物理通讯（英文版）

摘　　要：By means of an improved ligand-field theory, the ＂pure electronic＂ PS and the PS due to EPI of R line of MgO： V^2＋ have been calculated, respectively. The calculated results are in very good agreement with the experimental data. The behaviors of the pure electronic PS of R line of MgO：V^2＋ and the PS of its R line due to EPI are different. It is the combined effect of them that gives rise to the total PS of R line, which has satisfactorily explained the experimental results. The mixing-degree of ｜t2^2（^3T1）e^4T2〉 and ｜t2^3 ^2E〉 in the wavefunetion of R level and its variation with pressure have been calculated and analyzed. The comparison between the feature of R-line PS of MgO：V^2＋ and that of MgO：Cr^3＋ has been made.

关 键 词：high-pressure effect electron-phonon interaction R line improved ligand-field theory the admix-ture of ｜t2^2（^3T1）e^4T2〉 and ｜t2^3 2E〉 

分 类 号：O424[理学—声学]