BeAl2O4:Cr3+晶体的能级和振动结构
The Energy Levels and Vibrational Structure of BeAl2O4:Cr3+ Crystal
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摘要: 本文使用DV-Xα方法计算了终端声子激光晶体BeAl2O4∶Cr3+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。Abstract: Using discrete variational Xα method to calculate the energy levels and vibrational structure of BeAl2O4: Cr3+ crystal. The vibronic frequencies, Franck-Condon offset, Huang-Rhys paramenter, and activation energy are obtained. And the line shapes in 0K, 77K and 300K are presented.
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