论文部分内容阅读
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 on the theory of Racah’s group theory and Slater’s wave function, the 91 × 91 complete energy matrix of 4f2 configuration ions Pr 3+ in the triangular field C3v and C3h are respectively established. +) Ions in the halide CsCdBr_3 and GdCl_3 calculations and analysis of the Stark level results show that the calculated value and the experimental values ?? are good, indicating that in the analysis of rare earth ion doping system level splitting, the total energy Matrix method is an effective method.In addition, the energy splitting of the two systems with different point-group symmetry is compared and the results show that the influence of the sixth-order crystal field parameters on the energy-level splitting can not be neglected, and CsCdBr_3: Pr ~ (3+) and GdCl_3: Pr ~ (3+) will produce different degrees of distortion.