Systematic analysis of the fine structure of energy levels and spin-Hamiltonian parameters of V3+ ion in corundum with dynamic Jahn-Teller effect

doi:10.1016/j.jlumin.2018.12.031

CORC > 金属研究所 > 中国科学院金属研究所

	Systematic analysis of the fine structure of energy levels and spin-Hamiltonian parameters of V3+ ion in corundum with dynamic Jahn-Teller effect
	Fang, Wang 3; Chen, Heng-Jie 3; Ma, Chong-Geng 4; Zheng, Wen-Chen 1,5; Yang, Da-Xiao 3; Gao, Rong-Li 2
刊名	JOURNAL OF LUMINESCENCE
	2019-04-01
卷号	208 页码:273-278
关键词	Optical spectrum Electron paramagnetic resonance Complete diagonalization method Dynamic Jahn-Teller effect V3+ ion
ISSN号	0022-2313
DOI	10.1016/j.jlumin.2018.12.031
通讯作者	Fang, Wang(mailfangwang@163.com)
英文摘要	Systematic 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.
资助项目	Natural 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研究方向	Optics
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000457339000039
资助机构	Natural 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
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/131842]
专题	金属研究所_中国科学院金属研究所
通讯作者	Fang, Wang
作者单位	1.Sichuan Univ, Dept Mat Sci, Chengdu 610064, Sichuan, Peoples R China 2.Chongqing Univ Sci & Technol, Dept Met & Mat Engn, Chongqing 401331, Peoples R China 3.Chongqing Univ Sci & Technol, Dept Math & Phys, Chongqing 401331, Peoples R China 4.Chongqing Univ Posts & Telecommun, Coll Sci, Chongqing 400065, Peoples R China 5.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Liaoning, Peoples R China
推荐引用方式 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.