| 掺铜PTO晶体顺磁共振谱及局域结构的理论研究 |
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| 引用本文： | 龚劲涛,王利娟.掺铜PTO晶体顺磁共振谱及局域结构的理论研究[J].波谱学杂志,2009,26(3):408-412. |
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| 作者姓名： | 龚劲涛 王利娟 |
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| 作者单位： | 绵阳师范学院,物理与电子工程学院,四川,绵阳,621000;内江师范学院,物理与电子信息工程学院,四川,内江,641112;西南民族大学,电气信息工程学院,四川,成都,610041 |
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| 摘 要： | 基于晶体场理论，本文采用重叠模型和3d9电子组态在畸变四角晶场中的g因子和超精细结构常数A的三阶微扰计算公式以及钛酸铅PbTiO3 (PTO): Cu2+晶体的局域结构与EPR谱之间的定量关系，合理解释了PTO: Cu2+晶体的EPR谱及局域晶体结构，所得结果与实验观测相符合.
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| 关 键 词： | 顺磁共振(EPR) 晶体场理论 重叠模型 PTO Cu2+ |
| 收稿时间： | 2009-02-09 |
| 修稿时间： | 2009-03-08 |
Theoretical Investigation of the EPR Spectra and Local Structure of Cu2+-Doped PTO Crystal |
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| GONG Jin-tao,WANG Li-juan.Theoretical Investigation of the EPR Spectra and Local Structure of Cu2+-Doped PTO Crystal[J].Chinese Journal of Magnetic Resonance,2009,26(3):408-412. |
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| Authors: | GONG Jin-tao WANG Li-juan |
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| Institution: | 1.School of Physics and Electron, Mianyang Normal University, Mianyang 621000, China; 2.Department of Physics and Electronic Engineering, Neijiang Normal College, Neijiang 641112, China; 3.School of Electrical Information Engineering, Southwest Nationalities University, Chengdu 610041, China |
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| Abstract: | The crystal field theory was used to simulate the electron paramagnetic resonance (EPR) spectra of Cu2+-doped PbTiO3 (PTO) crystal and to study the local lattice structure of the crystal. The simulations used the superposition model, the third-order perturbation formula of g factor and the hyperfine structure constants A for the 3d9 electronic configuration in the distorted tetragonal crystal-field. The quantitative relationship between the local lattice structure of the Cu2+-doped PTO crystal and the corresponding EPR spectrum was established. The results obtained by theoretical simulations were found in good agreement with the experimental results. |
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| Keywords: | PTO Cu2+ |
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