ThSiO_4:V^(4+)晶体的光谱及EPR参量的理论研究  

Theoretical Studies of the Optical Spectra and EPR Parameters for V^(4+) in ThSiO_4 Crystal

作　　者：黄永平[1] 

机构地区：[1]宜宾学院物理与电子工程系,宜宾644007

出　　处：《人工晶体学报》2008年第5期1145-1147,共3页Journal of Synthetic Crystals

基　　金：宜宾学院青年基金资助课题(QJ05-10)

摘　　要：基于晶体场理论,采用3d1离子在D2d对称中的晶场能级公式和EPR参量高阶微扰公式,计算了ThSiO4:V4+晶体的光谱和电子顺磁共振(EPR)参量g因子g∥,g⊥和超精细结构常数A∥,A⊥。计算结果与实验发现很好吻合。由于晶体中顺磁杂质中心的EPR参量与其缺陷结构密切相关,本计算还获得了V4+杂质中心缺陷结构的信息。对上述结果进行了讨论。On the basis of the crystal-field theory, the optical spectra and electron paramagnetic resonance parameters for V……4＋ ions doped in ThSiO4 crystal in tetragonal （O2d） symmetry are theoretically investigated. The calculated values （optical spectra, g-factors g//,g⊥ and hyperfine structure constants A//, ,A⊥ ） show good agreement with the experimental data. Because of the consanguineous correlation between EPR parameters of paramagnetic ion center and the defect structure, the defect structure of the V^4＋ center can be obtained by the calculation. The reasonableness of these results is discussed.

关 键 词：晶体场理论 电子顺磁共振参量 缺陷结构 ThSiO4:V^4+晶体 

分 类 号：O737[理学—晶体学]