Studies on contribution of the charge transfer excited states to EPRg factors and the zero-field splitting D in SnTiO3: Mn4+ crystals(SnTiO3: Mn4+晶体中荷移激发态对EPRg和零场分裂D贡献的研究)
构建了四方八面体(MnO6)8-络离子g因子和零场分裂D的完全高阶微扰公式.在这些公式中,除了中心离子Mn4+和配体离子O2-自旋-轨道耦合对g因子和D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EPR参量的贡献.用此公式算得SnTiO3：Mn4+的g因子和D与实验值较一致.而单SO耦合参数模型和双SO耦合参数模型获得的g因子和D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....
| Main Authors: | , , |
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| Format: | Article |
| Language: | zho |
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Zhejiang University Press
2010-09-01
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| Series: | Zhejiang Daxue xuebao. Lixue ban |
| Subjects: | |
| Online Access: | https://doi.org/10.3785/j.issn.1008-9497.2010.05.012 |