SnTiO_3∶Mn^(4+)晶体中荷移激发态对EPRg的贡献  

Contribution of the Charge Transfer Excited States to EPRg Factors in SnTiO_3∶Mn^(4+) Crystals

作　　者：朱连轩[1] 王敏杰[1] 鲍峰玉[1] 

机构地区：[1]河南农业大学理学院,郑州450002

出　　处：《复旦学报（自然科学版）》2010年第3期345-348,共4页Journal of Fudan University：Natural Science

基　　金：国家教育部留学回国人员科研启动基金(2006330);河南省教育厅科技攻关项目(2009B510010)

摘　　要：构建了四方八面体(MnO6)8-络离子g因子的完全高阶微扰公式.公式中,除了中心离子Mn4+和配体离子O2-自旋-轨道耦合对g因子的贡献(双SO耦合参数模型)外,也考虑了荷移激发态(与电荷转移谱有关)与基态混合对g因子的贡献.公式得到SnTiO3∶Mn4+的g因子与实验值吻合.而双SO耦合参数模型获得的g因子值较大地偏离了实验值,这说明SnTiO3∶Mn4+晶体g因子的计算中荷移激发态与基态的相互作用不能被忽略.The complete high order perturbation formulas are established for g factors in the tetragonal octahedral （MnO6 ）^8- clusters. In the formulas, not only the contribution of the spin-orbit coupling of the central ion Mn^4＋ and ligand ion O^2- , but also the contribution of overlap of the charge transfer excited states and ground states are considered. The calculated g is in agreement with the observed one for SnTiO3 ： Mn^4＋. But the calculated g from the two-SO-parameter model deviates much greater from the observed one. The function of the charge transfer excited states and ground states can not be omitted in SnTiO3 ： Mn^4＋.

关 键 词：Mn^4+离子 自旋-轨道耦合 晶场结构 微扰公式 

分 类 号：O737[理学—晶体学]