Cr^(4+):Ca_2GeO_4晶体光谱的理论研究

Theoretical study on the absorption spectra for Cr^(4+):Ca_2GeO_4 crystal

分别用平均共价因子和双共价因子模型研究了Cr^(4+):Ca_2GeO_4晶体的光谱,研究结果表明:平均共价因子模型下,计算值与实验值相差甚远;而双共价因子模型下的计算值与实验数据符合得很好.这说明传统的平均共价因子模型不能很好地解释Cr^(4+):Ca_2GeO_4晶体的光谱,而双共价因子模型能改进平均共价因子的不足,更好地解释Cr^(4+):Ca_2GeO_4晶体的光谱.

The absorption spectra for Cr4＋：Ca2GeO4 crystal is investigated by employing both the average covalent factor model and the double covalent factor model. The results showed that the values calculated by the double covalent factor model were in good agreement with the experimental data;the values calculated by the average covalent factor model were far away from the ex- perimental data. These results implied that the double covalent factor model could improve the weakness of the average covalent factor model, and the absorption spectra for Cr4＋：Ca2GeO4 crystal could be explained well by the double covalent factor model.