掺铜氯化镉晶体的电子顺磁共振谱及局域晶格的理论研究

J4 ›› 2010, Vol. 27 ›› Issue (6): 665-668.

掺铜氯化镉晶体的电子顺磁共振谱及局域晶格的理论研究

王利娟^1,2, 张百珊¹, 吴英³

1内江师范学院物理与电子信息工程学院, 四川内江, 641112;
2西南民族大学电气信息工程学院, 四川成都, 610041;
3绵阳师范学院物理与电子工程学院, 四川绵阳, 621000

收稿日期:2010-01-08 修回日期:2010-04-11 出版日期:2010-11-28 发布日期:2010-11-19
通讯作者: 王利娟 (1975.2-),女,硕士生,讲师,研究方向:材料物理与化学. E-mail:wanglijuan20082@163.com
基金资助:
四川省教育厅科研项目(07ZA045)

Theoretical investigation of EPR spectra and local structure for Cu²⁺- doped CdCl₂ crystal

WANG Li-Juan^1,2, ZHANG Bai-Shan¹, WU Ying³

1 Department of Physics and Electronic Engineering, Neijiang Normal College, Neijiang 641112, China;
2 School of Electrical Information Engineering, Southwest Nationalities University, Chengdu 610041, China;
3 School of Physics and Electron, Mianyang Normal University, Mianyang 621000, China

Received:2010-01-08 Revised:2010-04-11 Published:2010-11-28 Online:2010-11-19

摘要/Abstract

摘要：

采用晶体场理论和3d⁹电子组态在平面四角晶场中的g因子和超精细结构常数A的三阶微扰计算公式以及CdCl₂: Cu²⁺晶体的局域结构与EPR谱之间的定量关系，合理解释了CdCl₂: Cu²⁺晶体的EPR谱及局域晶体结构，所得EPR参量与实验观测相符合。研究发现芯极化常数κ≈ 0.2827。平面四角键长的变化为 0.013nm. 因此，CdCl₂晶体中掺杂Cu²⁺后，由于静态Jahn-Teller效应引起的晶格驰豫，导致晶格在平面四角内发生了略微伸长的畸变。

关键词: 光谱学, 电子顺磁共振, 晶体场理论, 掺铜氯化镉

Abstract:

By using the crystal-field theory and third-order perturbation formula of g factor and the hyperfine structure constants A for the 3d9 electronic configuration in the planar tetragonal crystal-field as well as the quantitative relationship between the local lattice structure for the Cu²⁺:CdCl₂ and the electron paramagnetic resonance (EPR) spectra, the EPR spectra and local lattice structure for the Cu²⁺ in CdCl₂ are reasonably explained. The results are well consistent with experimental findings. From the study, the core polarization constant 0.2827 was obtained. The variety of the bond length of planar tetragon is 0.013nm. Thus, when Cu²⁺ doped in CdCl₂ crystal, due to the static Jahn-Teller effect, the lattice relaxation will lead to the small elongation distortion in the planar tetragon.

Key words: spectroscopy, electron paramagnetic resonance

中图分类号:

O737

王利娟张百珊吴英. 掺铜氯化镉晶体的电子顺磁共振谱及局域晶格的理论研究[J]. J4, 2010, 27(6): 665-668.

WANG Li-Juan, ZHANG Bai-Shan, WU Ying. Theoretical investigation of EPR spectra and local structure for Cu²⁺- doped CdCl₂ crystal[J]. J4, 2010, 27(6): 665-668.

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