CAJ | 학술논문

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Pr3+在三角晶体场C3v和C3h中的91×91完全能量矩阵，并对Pr3+离子掺杂在卤化物CsCdBr3和GdCl3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CsCdBr3：Pr3+和GdCl3：Pr3+将产生不同程度的畸变。
이Racah적군표시론화Slater적파함수이론위기출，분별건립료4f2조태리자Pr3+재삼각정체장C3v화C3h중적91×91완전능량구진，병대Pr3+리자참잡재서화물CsCdBr3화GdCl3중적Stark능급주료계산여분석。결과현시계산치여실험치문합흔호，표명재분석유희토리자참잡체계적능급분렬시，완전능량구진방법시유효적방법。차외，장량충구유불동점군대칭적체계적능급분렬정황작료비교，결과현시륙계정체장삼량대능급분렬적영향시불능홀략적，이차CsCdBr3：Pr3+화GdCl3：Pr3+장산생불동정도적기변。
Based upon the combination of Racah’ s group-theoretical consideration with Slater’ s wavefunctions, the 91 × 91 complete energy matrix of 4f2 configuration ion Pr3+ in C3v and C3h crystal field have been constructed respectively. The calculated Stark energy levels of CsCdBr3:Pr3+ and GdCl3:Pr3+ present a good agreement with the experimental values, which implies that the complete energy matrix method can be received as a recommend-able tool to perform a theoretical analysis to the doped crystal. Besides, the detailed comparison has been per-formed about the influence of Pr3+ ions on the energy levels splitting of the host crystal CsCdBr3 and GdCl3 doped with Pr3+ ions, characterized by different point group symmetry. It indicates that the sixth order crystal field pa-rameters play an indispensable role in splitting the energy levels. Additionally, the two systems will experience different local distortion.