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A theoretical study on the temperature dependence of zero-field splitting for the tetragonal Cr3+ center in MgO crystal
Zheng, Wen-Chen1,4; Jia, Gu-Ming1; He, Lv2; Yang, Wei-Qing1,3
Corresponding AuthorZheng, Wen-Chen(zhengwc1@163.com)
2011-02-01
Source PublicationSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
ISSN1386-1425
Volume78Issue:2Pages:818-820
AbstractThis 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.
KeywordElectron paramagnetic resonance Crystal- and ligand-field theory Thermal effect MgO Cr3+
DOI10.1016/j.saa.2010.12.036
Indexed BySCI
Language英语
WOS Research AreaSpectroscopy
WOS SubjectSpectroscopy
WOS IDWOS:000287614500040
PublisherPERGAMON-ELSEVIER SCIENCE LTD
Citation statistics
Cited Times:10[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/106571
Collection中国科学院金属研究所
Corresponding AuthorZheng, Wen-Chen
Affiliation1.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
Recommended Citation
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.
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