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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-Lin1,4; Yang, Wei-Qing2,3; Zheng, Wen-Chen3,4; Liu, Hong-Guang3
Corresponding AuthorFeng, Wen-Lin(wenlinfeng@126.com)
2010-04-15
Source PublicationPHYSICA B-CONDENSED MATTER
ISSN0921-4526
Volume405Issue:8Pages:2018-2020
AbstractWhen 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.
KeywordSpin-Hamiltonian parameters Crystal- and ligand-field theory Jahn-Teller effect C(NH2)(3)Al(SO4)(2)center dot 6H(2)O: Cu2+
Funding OrganizationChongqing University of Technology of China ; science and technology of Chongqing Education Committee
DOI10.1016/j.physb.2010.01.094
Indexed BySCI
Language英语
Funding ProjectChongqing University of Technology of China[2008ZQ12] ; Chongqing University of Technology of China[2009ZD09] ; science and technology of Chongqing Education Committee[K1090608]
WOS Research AreaPhysics
WOS SubjectPhysics, Condensed Matter
WOS IDWOS:000276667400016
PublisherELSEVIER SCIENCE BV
Citation statistics
Cited Times:18[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/100138
Collection中国科学院金属研究所
Corresponding AuthorFeng, Wen-Lin
Affiliation1.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
Recommended Citation
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.
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