Investigations of the spin-Hamiltonian parameters and tetragonal distortion due to the Jahn-Teller effect for Cu(H(2)O)(6)(2+) clusters in C(NH(2))(3)Al(SO(4))(2)center dot 6H(2)O: Cu(2+) crystal

IMR OpenIR

	Investigations of the spin-Hamiltonian parameters and tetragonal distortion due to the Jahn-Teller effect for Cu(H(2)O)(6)(2+) clusters in C(NH(2))(3)Al(SO(4))(2)center dot 6H(2)O: Cu(2+) crystal
	W. L. Feng; W. Q. Yang; W. C. Zheng; H. G. Liu
	2010
发表期刊	Physica B-Condensed Matter
ISSN	0921-4526
卷号	405 期号:8 页码:2018-2020
摘要	When Cu(2+) ion occupies the trigonal Al(3+) (II) site in guanidinium aluminium sulphate hexahydrate (GASH) (C(NH(2))(3)Al(SO(4))(2)center dot 6H(2)O) crystals, the trigonal Al(H(2)O)(6)(3+) octahedron in the host GASH crystal changes to the tetragonally-elongated Cu(H(2)O)(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(H(2)O)(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.
部门归属	[feng, wen-lin] chongqing univ technol, dept appl phys, chongqing 400054, peoples r china. [yang, wei-qing] chengdu univ informat technol, dept opt & elect, chengdu 610225, peoples r china. [yang, wei-qing; zheng, wen-chen; liu, hong-guang] sichuan univ, dept mat sci, chengdu 610064, peoples r china. [feng, wen-lin; zheng, wen-chen] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;feng, wl (reprint author), chongqing univ technol, dept appl phys, hong guang st, chongqing 400054, peoples r china;wenlinfeng@126.com
关键词	Spin-hamiltonian Parameters Crystal- And ligAnd-field Theory Jahn-teller Effect c(Nh(2))(3)Al(So(4))(2)Center Dot 6h(2)o: Cu(2+) Electron-paramagnetic-resonance Aluminum Sulfate Hexahydrate Atomic Screening Constants Single-crystal Epr-spectra Scf Functions Field Ions Temperature Systems
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31104
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. L. Feng,W. Q. Yang,W. C. Zheng,et al. Investigations of the spin-Hamiltonian parameters and tetragonal distortion due to the Jahn-Teller effect for Cu(H(2)O)(6)(2+) clusters in C(NH(2))(3)Al(SO(4))(2)center dot 6H(2)O: Cu(2+) crystal[J]. Physica B-Condensed Matter,2010,405(8):2018-2020.
APA	W. L. Feng,W. Q. Yang,W. C. Zheng,&H. G. Liu.(2010).Investigations of the spin-Hamiltonian parameters and tetragonal distortion due to the Jahn-Teller effect for Cu(H(2)O)(6)(2+) clusters in C(NH(2))(3)Al(SO(4))(2)center dot 6H(2)O: Cu(2+) crystal.Physica B-Condensed Matter,405(8),2018-2020.
MLA	W. L. Feng,et al."Investigations of the spin-Hamiltonian parameters and tetragonal distortion due to the Jahn-Teller effect for Cu(H(2)O)(6)(2+) clusters in C(NH(2))(3)Al(SO(4))(2)center dot 6H(2)O: Cu(2+) crystal".Physica B-Condensed Matter 405.8(2010):2018-2020.