Theoretical studies on the SH parameters and local distortion structure of KCl:Ag(2+) crystal

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	Theoretical studies on the SH parameters and local distortion structure of KCl:Ag(2+) crystal
	W. L. Li ; X. M. Li ; W. L. Feng ; W. J. Yang ; C. Y. Tao
刊名	Physica B-Condensed Matter
	2011
卷号	406 期号:1 页码:56-58
关键词	Crystal- and ligand-field theory Spin-Hamiltonian (SH) parameters Distortion structure Ag(2+) KCl spin-hamiltonian parameters atomic screening constants single-crystals paramagnetic-resonance epr parameters scf functions ions spectra field temperature
ISSN号	0921-4526
中文摘要	Complete diagonalization of the energy matrix and high order perturbation formulae of spin-Hamiltonian (SH) parameters possessing D(4h) symmetry for the 4d(9) ion based on the crystal- and ligand-field theory in tetragonal symmetry are expressed and applied to the study of local distortion structure of the KCl:Ag(2+) crystal. The calculated results agree well with experimental findings. Both complete diagonalization of energy matrix and high order perturbation approach are appropriate for the investigations of SH parameters of 4d9 ions in tetragonal crystals. Tetragonal distortion due to the Jahn-Teller effect for the tetragonal Ag(2+) center at the K(+) site of KCl crystal is also acquired from the calculations. (C) 2010 Elsevier B.V. All rights reserved.
原文出处	://WOS:000285212200012
公开日期	2012-04-13
内容类型	期刊论文
源URL	[http://210.72.142.130/handle/321006/30486]
专题	金属研究所_中国科学院金属研究所
推荐引用方式 GB/T 7714	W. L. Li,X. M. Li,W. L. Feng,et al. Theoretical studies on the SH parameters and local distortion structure of KCl:Ag(2+) crystal[J]. Physica B-Condensed Matter,2011,406(1):56-58.
APA	W. L. Li,X. M. Li,W. L. Feng,W. J. Yang,&C. Y. Tao.(2011).Theoretical studies on the SH parameters and local distortion structure of KCl:Ag(2+) crystal.Physica B-Condensed Matter,406(1),56-58.
MLA	W. L. Li,et al."Theoretical studies on the SH parameters and local distortion structure of KCl:Ag(2+) crystal".Physica B-Condensed Matter 406.1(2011):56-58.