A theoretical study on the temperature dependence of zero-field splitting for the tetragonal Cr3+ center in MgO crystal

doi:10.1016/j.saa.2010.12.036

IMR OpenIR

	A theoretical study on the temperature dependence of zero-field splitting for the tetragonal Cr3+ center in MgO crystal
	Zheng, Wen-Chen 1,4; Jia, Gu-Ming 1; He, Lv 2; Yang, Wei-Qing 1,3
通讯作者	Zheng, Wen-Chen(zhengwc1@163.com)
	2011-02-01
发表期刊	SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
ISSN	1386-1425
卷号	78 期号:2 页码:818-820
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.
关键词	Electron paramagnetic resonance Crystal- and ligand-field theory Thermal effect MgO Cr3+
DOI	10.1016/j.saa.2010.12.036
收录类别	SCI
语种	英语
WOS研究方向	Spectroscopy
WOS类目	Spectroscopy
WOS记录号	WOS:000287614500040
出版者	PERGAMON-ELSEVIER SCIENCE LTD
引用统计	被引频次：10[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/106571
专题	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.