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
	2011
发表期刊	Physica B-Condensed Matter
ISSN	0921-4526
卷号	406 期号:1 页码:56-58
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.
部门归属	[li, w. l.; li, x. m.; feng, w. l.; tao, c. y.] chongqing univ, key lab optoelect technol & syst, minist educ, coll optoelect engn, chongqing 400044, peoples r china. [li, x. m.; yang, w. j.] chongqing univ, coll chem & chem engn, chongqing 400044, peoples r china. [feng, w. l.] chongqing univ technol, dept appl phys, chongqing 400054, peoples r china. [feng, w. l.] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;li, xm (reprint author), chongqing univ, key lab optoelect technol & syst, minist educ, coll optoelect engn, chongqing 400044, peoples r china;xuemingli@cqu.edu.cn wenlinfeng@126.com
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
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文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/30486
专题	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.