摘要
本文使用DV-X_α方法计算了终端声子激光晶体BeAl_2O_4∶Cr^(3+)的电子能级和振动结构,给出的晶场能级与实验值相当接近,使用晶格振动的“呼吸”模型,得到了基态~4A″和第一激发态~4A′的振动势能曲线。另外,还获得晶体振动的声子能量,黄昆参数,激活能,和Franck-Condon交距等参数。计算了三种温度0K,77K和300K下的振动线形,并与77K的实验吸收谱作了比较。
Using discrete variational X_α method to calculate the energy levels and vibrational structure of BeAl_2O_4: Cr^(3+) crystal. The vibronic frequencies, Franck-Condon offset, Huang-Rhys paramenter, and activation energy are obtained. And the line shapes in OK, 77K and 300K are presented.
