光学学报, 1993, 13 (2): 139, 网络出版: 2007-12-07
MgF2:V2+晶体能级和振动结构的DV-Xa研究
DV-Xastudies on the energy levels and vibrational structure of MgF2:V2+crystal
摘要
首次用DV-X_a方法计算了终端声子激光晶体MgF2:V2+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4B1g和第一激发态4B2g的振动势能曲线.在简谐振动近似下,它们分别具有454 cm-1和460 cm-1的声子能量,与实验值399 cm-1符合很好.另外,还获得晶体振动的黄昆参数,激活能,和Franck—Condon交距等参数.计算了四种温度(0 K,2 K,77 K和300K)下的振动线形,并与2K的实验吸收谱作了比较.
Abstract
The energy levels and vibrational spectra of MgF2:V2+ crystal are calculated by using discreate variational Xαmethod. The vibronic frequencies, Franck-Condon offset, Huang-Rhys parameter, and activation energy are obtained. The vibronic frequencies of ground state 4B1gand the first excited state 4B2gare 454 cm-1 and 460 cm-1, respectively, which are near the experimental value 399 cm-1. And the vibronic potentials in 0K, 2K, 77K and 300K are presented.
张冰, 祝继康. MgF2:V2+晶体能级和振动结构的DV-Xa研究[J]. 光学学报, 1993, 13(2): 139. 张冰, 祝继康. DV-Xastudies on the energy levels and vibrational structure of MgF2:V2+crystal[J]. Acta Optica Sinica, 1993, 13(2): 139.
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