Investigations of the spin-Hamiltonian parameters and tetragonal distortion due to the Jahn-Teller effect for Cu(H2O)(6)(2+) clusters in C(NH2)(3)Al(SO4)(2)center dot 6H(2)O: Cu2+ crystal

doi:10.1016/j.physb.2010.01.094

IMR OpenIR

	Investigations of the spin-Hamiltonian parameters and tetragonal distortion due to the Jahn-Teller effect for Cu(H2O)(6)(2+) clusters in C(NH2)(3)Al(SO4)(2)center dot 6H(2)O: Cu2+ crystal
	Feng, Wen-Lin 1,4; Yang, Wei-Qing 2,3; Zheng, Wen-Chen 3,4; Liu, Hong-Guang 3
通讯作者	Feng, Wen-Lin(wenlinfeng@126.com)
	2010-04-15
发表期刊	PHYSICA B-CONDENSED MATTER
ISSN	0921-4526
卷号	405 期号:8 页码:2018-2020
摘要	When Cu2+ ion occupies the trigonal Al3+ (II) site in guanidinium aluminium sulphate hexahydrate (GASH) (C(NH2)(3)Al(SO4)(2)center dot 6H(2)O) crystals, the trigonal Al(H2O)(6)(3+) octahedron in the host GASH crystal changes to the tetragonally-elongated Cu(H2O)(6)(2+) octahedron in the impurity center due to the Jahn-Teller effect. The tetragonal distortion (characterized by Delta R=R-parallel to-R-perpendicular to, where R-vertical bar and R-perpendicular to represent the metal-ligand distances parallel with and perpendicular to the C-4 axis) of this Cu(H2O)(6)(2+) cluster is studied by calculating its spin-Hamiltonian parameters (g factors g(parallel to), g(perpendicular to) and hyperfine structure constants A(parallel to) and A(perpendicular to)) from two theoretical methods, the complete diagonalization (of energy matrix) method (CDM) and the perturbation theory method (PTM). Both methods are based on the cluster approach in which the admixture between the d orbitals of 3d(n) ion and the p orbitals of ligand ion is considered. The calculated results show that both methods can be used to calculate the spin-Hamiltonian parameters and to determine the structure of 3d(9) clusters in crystals. These results are discussed. (C) 2010 Elsevier BM. All rights reserved.
关键词	Spin-Hamiltonian parameters Crystal- and ligand-field theory Jahn-Teller effect C(NH2)(3)Al(SO4)(2)center dot 6H(2)O: Cu2+
资助者	Chongqing University of Technology of China ; science and technology of Chongqing Education Committee
DOI	10.1016/j.physb.2010.01.094
收录类别	SCI
语种	英语
资助项目	Chongqing University of Technology of China[2008ZQ12] ; Chongqing University of Technology of China[2009ZD09] ; science and technology of Chongqing Education Committee[K1090608]
WOS研究方向	Physics
WOS类目	Physics, Condensed Matter
WOS记录号	WOS:000276667400016
出版者	ELSEVIER SCIENCE BV
引用统计	被引频次：21[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/321006/100138
专题	中国科学院金属研究所
通讯作者	Feng, Wen-Lin
作者单位	1.Chongqing Univ Technol, Dept Appl Phys, Chongqing 400054, Peoples R China 2.Chengdu Univ Informat Technol, Dept Opt & Elect, Chengdu 610225, Peoples R China 3.Sichuan Univ, Dept Mat Sci, Chengdu 610064, 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	Feng, Wen-Lin,Yang, Wei-Qing,Zheng, Wen-Chen,et al. Investigations of the spin-Hamiltonian parameters and tetragonal distortion due to the Jahn-Teller effect for Cu(H2O)(6)(2+) clusters in C(NH2)(3)Al(SO4)(2)center dot 6H(2)O: Cu2+ crystal[J]. PHYSICA B-CONDENSED MATTER,2010,405(8):2018-2020.
APA	Feng, Wen-Lin,Yang, Wei-Qing,Zheng, Wen-Chen,&Liu, Hong-Guang.(2010).Investigations of the spin-Hamiltonian parameters and tetragonal distortion due to the Jahn-Teller effect for Cu(H2O)(6)(2+) clusters in C(NH2)(3)Al(SO4)(2)center dot 6H(2)O: Cu2+ crystal.PHYSICA B-CONDENSED MATTER,405(8),2018-2020.
MLA	Feng, Wen-Lin,et al."Investigations of the spin-Hamiltonian parameters and tetragonal distortion due to the Jahn-Teller effect for Cu(H2O)(6)(2+) clusters in C(NH2)(3)Al(SO4)(2)center dot 6H(2)O: Cu2+ crystal".PHYSICA B-CONDENSED MATTER 405.8(2010):2018-2020.