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Systematic analysis of the fine structure of energy levels and spin-Hamiltonian parameters of V3+ ion in corundum with dynamic Jahn-Teller effect
Fang, Wang1; Chen, Heng-Jie1; Ma, Chong-Geng2; Zheng, Wen-Chen3,4; Yang, Da-Xiao1; Gao, Rong-Li5
Corresponding AuthorFang, Wang(mailfangwang@163.com)
2019-04-01
Source PublicationJOURNAL OF LUMINESCENCE
ISSN0022-2313
Volume208Pages:273-278
AbstractSystematic analysis of fine structure of the whole energy levels and spin-Hamiltonian parameters (zero-field splitting (ZFS) parameter D and g-factors g(//) and g(perpendicular to)) for the ground state (3)A(2)(T-3(1)) of V3+ ion in corundum are presented in detail with complete diagonalization method (CDM) of 45 x 45 energy matrix, in which the full configuration interactions are taken into account. The reduction of the splittings of excited electronic T-3(2) (t(2g)e) term with orbital triplet degenerate caused by spin-orbit (SO) and lower trigonal crystal field (CF) is studied by T-2 circle times e model dynamic Jahn-Teller theory, and Ham deduction factor, the Jahn-Teller energy E-JT and Huang-Rhys factor S are estimated. The studies are performed within the strong-field scheme with molecular orbit (MO) approximation, in which the two SO coupling parameter model is used and the SO contributions from both the central 3d ion and ligands are taken in account. The calculated results are in good agreement with the experimental data, and the local structure of [VO6](9-) cluster with C-3 point group symmetry are determined quantitatively.
KeywordOptical spectrum Electron paramagnetic resonance Complete diagonalization method Dynamic Jahn-Teller effect V3+ ion
Funding OrganizationNatural Science Foundation Project of Chongqing Science and Technology Commission ; Science and Technology Research Program of Chongqing Municipal Education Commission ; Innovation and Entrepreneurship Programs for Returned Overseas Chinese Scholars by Chinese Ministry ; Chongqing Bureau of Human Resources and Social Security ; Scientific and Technological Research Program of Chongqing Municipality Education Commission ; Wenfeng High-end Talents Project by Chongqing University of Posts and Telecommunications ; Chongqing University of Posts and Telecommunications
DOI10.1016/j.jlumin.2018.12.031
Indexed BySCI
Language英语
Funding ProjectNatural Science Foundation Project of Chongqing Science and Technology Commission[2018jcyjAX0013] ; Natural Science Foundation Project of Chongqing Science and Technology Commission[2016jcyjA0336] ; Science and Technology Research Program of Chongqing Municipal Education Commission[KJ1601332] ; Innovation and Entrepreneurship Programs for Returned Overseas Chinese Scholars by Chinese Ministry ; Chongqing Bureau of Human Resources and Social Security[[2014] 167] ; Chongqing Bureau of Human Resources and Social Security[CX2018125] ; Scientific and Technological Research Program of Chongqing Municipality Education Commission[KJ1600415] ; Wenfeng High-end Talents Project by Chongqing University of Posts and Telecommunications[W2016-01] ; Chongqing University of Posts and Telecommunications
WOS Research AreaOptics
WOS SubjectOptics
WOS IDWOS:000457339000039
PublisherELSEVIER SCIENCE BV
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/131843
Collection中国科学院金属研究所
Corresponding AuthorFang, Wang
Affiliation1.Chongqing Univ Sci & Technol, Dept Math & Phys, Chongqing 401331, Peoples R China
2.Chongqing Univ Posts & Telecommun, Coll Sci, Chongqing 400065, Peoples R China
3.Sichuan Univ, Dept Mat Sci, Chengdu 610064, Sichuan, Peoples R China
4.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Liaoning, Peoples R China
5.Chongqing Univ Sci & Technol, Dept Met & Mat Engn, Chongqing 401331, Peoples R China
Recommended Citation
GB/T 7714
Fang, Wang,Chen, Heng-Jie,Ma, Chong-Geng,et al. Systematic analysis of the fine structure of energy levels and spin-Hamiltonian parameters of V3+ ion in corundum with dynamic Jahn-Teller effect[J]. JOURNAL OF LUMINESCENCE,2019,208:273-278.
APA Fang, Wang,Chen, Heng-Jie,Ma, Chong-Geng,Zheng, Wen-Chen,Yang, Da-Xiao,&Gao, Rong-Li.(2019).Systematic analysis of the fine structure of energy levels and spin-Hamiltonian parameters of V3+ ion in corundum with dynamic Jahn-Teller effect.JOURNAL OF LUMINESCENCE,208,273-278.
MLA Fang, Wang,et al."Systematic analysis of the fine structure of energy levels and spin-Hamiltonian parameters of V3+ ion in corundum with dynamic Jahn-Teller effect".JOURNAL OF LUMINESCENCE 208(2019):273-278.
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