Studies of the local structures and spin Hamiltonian parameters for the two Rh2+ centers in AgBr

doi:10.1139/P10-106

IMR OpenIR

	Studies of the local structures and spin Hamiltonian parameters for the two Rh2+ centers in AgBr
	Zhang, Hua-Ming 1; Wu, Shao-Yi 1,2; Xu, Pei 1
通讯作者	Wu, Shao-Yi(shaoyi_wu@163.com)
	2011-02-01
发表期刊	CANADIAN JOURNAL OF PHYSICS
ISSN	0008-4204
卷号	89 期号:2 页码:177-183
摘要	The local structures and the spin Hamiltonian parameters (the g-factors g(parallel to) and g(perpendicular to) and the superhyperfine parameters A(parallel to)' and A(perpendicular to)') are quantitatively studied for the two Rh2+ L and H centers (denoting the tetragonally elongated and compressed [RhBr6](4-) clusters at low and high temperatures, respectively) in AgBr using the perturbation formulas of these parameters for a 4d(7) ion in tetragonally elongated and compressed octahedra. From the studies, the elongated L center originates from the relative elongation of the parallel Rh2+-Br- bonds by about 0.081 angstrom along the C-4 axis because of the Jahn-Teller effect. Nevertheless, the compressed center H is attributed to one next nearest neighbouring Ag+ vacancy V-Ag along the C-4 axis as the charge compensator, which compels the intervening ligand Br- in the Rh2+ and the V-Ag to shift away from the latter by about 0.148 angstrom because of the electrostatic repulsion. All the calculated spin Hamiltonian parameters based on the above local structures are in good agreement with the experimental data for both centers.
资助者	UESTC
DOI	10.1139/P10-106
收录类别	SCI
语种	英语
资助项目	UESTC
WOS研究方向	Physics
WOS类目	Physics, Multidisciplinary
WOS记录号	WOS:000287147900001
出版者	CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS
引用统计	被引频次：5[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/321006/106773
专题	中国科学院金属研究所
通讯作者	Wu, Shao-Yi
作者单位	1.Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China 2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Zhang, Hua-Ming,Wu, Shao-Yi,Xu, Pei. Studies of the local structures and spin Hamiltonian parameters for the two Rh2+ centers in AgBr[J]. CANADIAN JOURNAL OF PHYSICS,2011,89(2):177-183.
APA	Zhang, Hua-Ming,Wu, Shao-Yi,&Xu, Pei.(2011).Studies of the local structures and spin Hamiltonian parameters for the two Rh2+ centers in AgBr.CANADIAN JOURNAL OF PHYSICS,89(2),177-183.
MLA	Zhang, Hua-Ming,et al."Studies of the local structures and spin Hamiltonian parameters for the two Rh2+ centers in AgBr".CANADIAN JOURNAL OF PHYSICS 89.2(2011):177-183.