化学学报 ›› 1997, Vol. 55 ›› Issue (9): 872-879. 上一篇    下一篇

研究论文

不同温度下LaAlO3 : Eu的光谱分析

范英芳;杨频;潘大丰   

  1. 山西大学分子科学研究所
  • 发布日期:1997-09-15

Spectral analysis of Eu^3^+ ion in LaAlO3 : Eu at varied temperature

FAN YINGFANG;YANG PIN;PAN DAFENG   

  • Published:1997-09-15

本文基于双层点电荷配位场(DSCPCF)模型, 计算分析了77K, 300K和500K温度下Eu^3^+离子在LaAlO3中的配位场微扰能级及其光谱行为, 结果与实验吻合较好。由于随着温度的升高,Eu^3^+点的对称性发生变化(D3→Oh), 而使计算参数的取值有微小差别, 计算得到的配位场参数也有规律性的变化, 尤其是500K时B0^2值变号, 使计算的DSCPCF能级次序稍不同于其它两个温度。

关键词: 光谱分析, 稀土金属络合物, 铕络合物, 铝酸镧

Based on the double-sphere coordination point-charge field (DSCPCF) model, the coordination field perturbation levels were calculated and the f-f transition spectra of Eu^3^+ ion in LaAlO3 : Eu were analyzed at 77, 300 and 500K. The results are in reasonably good agreement with experimental observation. With the increase of temperature, the small variations of the calculating parameters are noted owing to a shift in symmetry at the europium site (D3→Oh), i.e., the parameter x which described completely the crystal structure approximates 0.5, the average bonding distances of the three types of coordinated atoms tend to be the same. The coordination field parameters obtained were varied regularly. Especially, the sign of B0^2 at 500K was changed to negative so that the calculated DSCPCF levels differed from that at the other two temperatures.

Key words: SPECTROGRAPHIC ANALYSIS, RARE EARTH METAL COMPLEX, EUROPIUM COMPLEX

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