四面体络离子(CrO4)4-电子顺磁共振g因子的理论计算

J4 ›› 2010, Vol. 45 ›› Issue (1): 27-30.

四面体络离子(CrO₄)^4-电子顺磁共振g因子的理论计算

王敏杰朱连轩赵安庆袁超

河南农业大学理学院, 河南郑州 450002

收稿日期:2009-03-25 出版日期:2010-01-16 发布日期:2010-03-25
作者简介:王敏杰(1972-),女,硕士研究生,讲师,研究方向为凝聚态物质的光学磁学性质.Email:wmzk2003@yahoo.com.cn
基金资助:
河南省教育厅科技攻关资助项目

Theoretical study of the EPR g-factor for clusters (CrO₄)^4-

College of Sciences, Henan Agricultural University, Zhengzhou 450002, Henan, China

Received:2009-03-25 Online:2010-01-16 Published:2010-03-25

摘要/Abstract

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。

关键词: 局域结构;电子顺磁共振;微扰公式;自旋-轨道耦合

Abstract:

The EPR g-factor for clusters (CrO₄)^4- in Ba₃Ge₂O₇　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 ofg is 0.0003 between the calculated values and the experimental values from thecharge-transfer model, and is 0.0249 from the double spinorbit coupling parameter model.

Key words: local structure; electron paramagnetic resonance; perturbation expression; SO coupling

王敏杰朱连轩赵安庆袁超. 四面体络离子(CrO₄)^4-电子顺磁共振g因子的理论计算[J]. J4, 2010, 45(1): 27-30.

WANG Min-Jie, ZHU Lian-Xuan, ZHAO An-Qing, YUAN Chao. Theoretical study of the EPR g-factor for clusters (CrO₄)^4-[J]. J4, 2010, 45(1): 27-30.

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四面体络离子(CrO₄)^4-电子顺磁共振g因子的理论计算

Theoretical study of the EPR g-factor for clusters (CrO₄)^4-

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