Investigations of the spin-Hamiltonian parameters and the tetragonal distortion due to Jahn-Teller effect for Cu(2+) in trigonal CsCdCl(3) and CsMgCl(3) crystals

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	Investigations of the spin-Hamiltonian parameters and the tetragonal distortion due to Jahn-Teller effect for Cu(2+) in trigonal CsCdCl(3) and CsMgCl(3) crystals
	Y. Mei; W. C. Zheng
	2009
发表期刊	Physica B-Condensed Matter
ISSN	0921-4526
卷号	404 期号:8-11 页码:1446-1449
摘要	The complete high-order perturbation formulas based on a two-mechanism [i.e., crystal-field (CF) and charge-transfer (CT) mechanisms, the latter is neglected in the widely-used CF theory] model for the spin-Hamiltonian (SH) parameters (g factors g(//), g(perpendicular to) and the hyperfine structure constants A(//), A(perpendicular to)) of d(9) ions in tetragonal symmetry with the ground state vertical bar d(x2-y2)> are established. These formulas are used to the calculations of SH parameters for the tetragonal Cu(2+) centers in trigonal CsCdCl(3) and CSMgCl(3) crystals. Form the calculations, these SH parameters are reasonably explained and the tetragonal distortions of the Cu(2+) centers due to Jahn-Teller effect in both crystals are obtained. The results (including the tetragonal distortion and the relative importance of CT mechanism) are discussed. (C) 2009 Elsevier B.V. All rights reserved.
部门归属	[mei, yang; zheng, wen-chen] sichuan univ, dept mat sci, chengdu 610064, peoples r china. [zheng, wen-chen] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;zheng, wc (reprint author), sichuan univ, dept mat sci, chengdu 610064, peoples r china;zhengwc1@163.com
关键词	Electron Paramagnetic Resonance Jahn-teller Effect Crystal- And Ligand-field Theory Cu(2+) Cscdcl(3) Csmgcl(3) Atomic Screening Constants Charge-transfer Scf Functions Epr Resonance Csmgbr3 Spectra States Ligand
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文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/32200
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. Mei,W. C. Zheng. Investigations of the spin-Hamiltonian parameters and the tetragonal distortion due to Jahn-Teller effect for Cu(2+) in trigonal CsCdCl(3) and CsMgCl(3) crystals[J]. Physica B-Condensed Matter,2009,404(8-11):1446-1449.
APA	Y. Mei,&W. C. Zheng.(2009).Investigations of the spin-Hamiltonian parameters and the tetragonal distortion due to Jahn-Teller effect for Cu(2+) in trigonal CsCdCl(3) and CsMgCl(3) crystals.Physica B-Condensed Matter,404(8-11),1446-1449.
MLA	Y. Mei,et al."Investigations of the spin-Hamiltonian parameters and the tetragonal distortion due to Jahn-Teller effect for Cu(2+) in trigonal CsCdCl(3) and CsMgCl(3) crystals".Physica B-Condensed Matter 404.8-11(2009):1446-1449.