A theoretical study on the temperature dependence of zero-field splitting for the tetragonal Cr3+ center in MgO crystal
文献类型：期刊论文
| 作者 | Zheng, Wen-Chen1,4; Jia, Gu-Ming1; He, Lv2; Yang, Wei-Qing1,3 |
| 刊名 | SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
 |
| 出版日期 | 2011-02-01 |
| 卷号 | 78期号:2页码:818-820 |
| 关键词 | Electron paramagnetic resonance Crystal- and ligand-field theory Thermal effect MgO Cr3+ |
| ISSN号 | 1386-1425 |
| DOI | 10.1016/j.saa.2010.12.036 |
| 通讯作者 | Zheng, Wen-Chen(zhengwc1@163.com) |
| 英文摘要 | This paper reports a detailed theoretical calculation of the temperature dependence of zero-field splitting D (characterized by Delta D(T) = D(T) - D(0)) for the tetragonal Cr3+ center in MgO crystal by considering both the static contribution due to the thermal expansion of Cr3+ center and the vibrational contribution caused by electron-phonon (including the acoustic and optical phonons) interaction. The vibrational contribution due to the acoustic phonon is calculated using the long-wave approximation similar to the study on the specific heat of crystals and that due to optical phonon is estimated using the single-phonon model. The calculated results are in reasonable agreement with the experimental values. From the calculation, it is found that the static contribution Delta D-stat(T) (which is often regarded as very small and is neglected in the previous papers) is larger than the vibrational contribution Delta D-vib(T) and so the reasonable studies of temperature dependence of zero-field splitting should take both the static and the vibrational contributions into account. (C) 2010 Elsevier B.V. All rights reserved. |
| WOS研究方向 | Spectroscopy |
| 语种 | 英语 |
| WOS记录号 | WOS:000287614500040 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| 源URL | [http://ir.imr.ac.cn/handle/321006/106570]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Zheng, Wen-Chen |
| 作者单位 | 1.Sichuan Univ, Dept Mat Sci, Chengdu 610064, Peoples R China 2.Zhejiang Normal Univ, Dept Phys, Jinhua 321004, Peoples R China 3.Chengdu Univ Informat Technol, Dept Opt & Elect, Chengdu 610225, Peoples R China 4.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zheng, Wen-Chen,Jia, Gu-Ming,He, Lv,et al. A theoretical study on the temperature dependence of zero-field splitting for the tetragonal Cr3+ center in MgO crystal[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2011,78(2):818-820. |
| APA | Zheng, Wen-Chen,Jia, Gu-Ming,He, Lv,&Yang, Wei-Qing.(2011).A theoretical study on the temperature dependence of zero-field splitting for the tetragonal Cr3+ center in MgO crystal.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,78(2),818-820. |
| MLA | Zheng, Wen-Chen,et al."A theoretical study on the temperature dependence of zero-field splitting for the tetragonal Cr3+ center in MgO crystal".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 78.2(2011):818-820. |
入库方式： OAI收割
来源：金属研究所
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