对比分析三角Pr^(3+)中心在CsCdBr_3和GdCl_3晶体中的能级分裂  

Comparative analysis of energy levels splitting for the triagonal Pr^(3+) centers in CsCdBr_3 and GdCl_3 crystals

作　　者：段美玲[1] 李晋红[2] 陈芳[3] 

机构地区：[1]中北大学理学院,太原030051 [2]太原科技大学应用科学学院,太原030024 [3]中北大学化工与环境学院,太原030051

出　　处：《原子与分子物理学报》2015年第6期1091-1096,共6页Journal of Atomic and Molecular Physics

基　　金：国家自然科学基金(11247278;10974138;61405136;61178067;11447219);山西省青年基金(2013021010-4;2012021016)

摘　　要：以Racah的群表示论和Slater的波函数理论为基础,分别建立了4f2组态离子Pr^(3+)在三角晶体场C3v和C3h中的91×91完全能量矩阵,并对Pr^(3+)离子掺杂在卤化物CsCdBr_3和GdCl_3中的Stark能级做了计算与分析.结果显示计算值与实验值吻合很好,表明在分析由稀土离子掺杂体系的能级分裂时,完全能量矩阵方法是有效的方法.此外,将两种具有不同点群对称的体系的能级分裂情况作了比较,结果显示六阶晶体场参量对能级分裂的影响是不能忽略的,而且CsCdBr_3:Pr^(3+)和GdCl_3:Pr^(3+)将产生不同程度的畸变.Based upon the combination of Racah＇s group- theoretical consideration with Slater＇s wavefunctions,the 91 × 91 complete energy matrix of 4f2 configuration ion Pr^（3 ＋）in C_3 vand C_3hcrystal field have been constructed respectively. The calculated Stark energy levels of Cs Cd Br3： Pr^（3 ＋）and Gd Cl_3： Pr^（3 ＋）present a good agreement with the experimental values,which implies that the complete energy matrix method can be received as a recommendable tool to perform a theoretical analysis to the doped crystal. Besides,the detailed comparison has been performed about the influence of Pr^（3 ＋）ions on the energy levels splitting of the host crystal Cs Cd Br_3 and Gd Cl_3 doped with Pr^（3 ＋）ions,characterized by different point group symmetry. It indicates that the sixth order crystal field parameters play an indispensable role in splitting the energy levels. Additionally,the two systems will experience different local distortion.

关 键 词：Pr3+ 完全能量矩阵 能级分裂 晶体场效应 畸变 

分 类 号：O562[理学—原子与分子物理]