| 四面体络离子(CrO_4)~(4-)电子顺磁共振g因子的理论计算 |
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| 引用本文： | 王敏杰,朱连轩,赵安庆,袁超.四面体络离子(CrO_4)~(4-)电子顺磁共振g因子的理论计算[J].山东大学学报(理学版),2010,45(1):27-30. |
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| 作者姓名： | 王敏杰 朱连轩 赵安庆 袁超 |
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| 作者单位： | 河南农业大学理学院,河南,郑州,450002 |
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| 基金项目： | 河南省教育厅科技攻关项目 |
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| 摘 要： | 用四面体络离子(CrO4)4-g因子完全高阶微扰公式计算了Ba3Ge2O7晶体g因子,与双SO耦合参数模型相比,荷移模型计算的g因子与实验值更接近。荷移模型获得的g因子与实验值的差仅为0.0003,而双SO耦合参数模型获得的g因子与实验值的差高达0.0249。
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| 关 键 词： | 局域结构 电子顺磁共振 微扰公式 自旋-轨道耦合 |
| 收稿时间： | 2009-03-25 |
Theoretical study of the EPR g-factor for clusters (CrO_4)~(4-) |
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| WANG Min-jie,ZHU Lian-xuan,ZHAO An-qing,YUAN Chao.Theoretical study of the EPR g-factor for clusters (CrO_4)~(4-)[J].Journal of Shandong University,2010,45(1):27-30. |
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| Authors: | WANG Min-jie ZHU Lian-xuan ZHAO An-qing YUAN Chao |
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| Institution: | College of Sciences, Henan Agricultural University, Zhengzhou 450002, Henan, China |
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| Abstract: | The EPR g-factor for clusters ( CrO_4)~(4-) in Ba_3Ge_2O_7 crystals was studied from the complete high-order perturbation formulae. The results were in more agreement with the experimental value by a charge-transfer model as compared with a double spin-orbit(SO) coupling parameter model. The difference of g is 0.000 3 between the calculated values and the experimental values from the charge-transfer model, and is 0.024 9 from the double spin-orbit coupling parameter model. |
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| Keywords: | local structure electron parmagnetic resonance perturbation expression SO coupling |
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