Investigations of the spin-Hamiltonian parameters and tetragonal distortions due to Jahn-Teller effect for the monovalent d(9) (Ni(+), Pd(+), Pt(+)) impurity centers in AgCl crystals

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	Investigations of the spin-Hamiltonian parameters and tetragonal distortions due to Jahn-Teller effect for the monovalent d(9) (Ni(+), Pd(+), Pt(+)) impurity centers in AgCl crystals
	W. L. Feng; W. Q. Yang; W. C. Zheng; X. M. Li
	2010
发表期刊	Journal of Alloys and Compounds
ISSN	0925-8388
卷号	507 期号:2 页码:498-501
摘要	When the monovalent md(9) ions Ni(+) (3d(9)), Pd(+) (4d(9)) and Pt(+) (5d(9)) substitute for the Ag(+) ions in AgCl crystal, the cubic chlorine octahedron surrounding Ag in the host AgCl crystal distorts into the tetragonally elongated octahedron in the md9 impurity center owing to the Jahn-Teller effect. The spin-Hamiltonian parameters (g factors g(parallel to) g(perpendicular to), and hyperfine structure constants A(parallel to), A(perpendicular to)) of the tetragonal md(9) centers in AgCl are calculated from the high-order perturbation formulas based on the cluster approach, in which the admixture between d orbitals of d(n) ion and p orbitals of ligand ion via covalence effect are taken into account. From the calculations, the spin-Hamiltonian parameters of these tetragonal md(9) centers in AgCl are explained reasonably and the tetragonal distortions (characterized by the tetragonal elongation Delta R = R(parallel to) - R(perpendicular to), where R(parallel to) and R(perpendicular to) denote the metal-ligand distances parallel with and perpendicular to the tetragonal axis) of these centers due to Jahn-Teller effect are obtained. The results are discussed. (C) 2010 Elsevier B.V. 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] 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. [li xue-ming] chongqing univ, coll chem & chem engn, chongqing 400044, peoples r china.;feng, wl (reprint author), chongqing univ technol, dept appl phys, chongqing 400054, peoples r china;wenlinfeng@126.com
关键词	Electron Paramagnetic Resonance Crystal And ligAnd Field Theory Jahn-teller Effect Agcl Ni(+) Pd(+) Pt(+) Electron-paramagnetic-resonance Atomic Screening Constants Single-crystals Scf Functions Ions Epr Temperature Fields Model Agbr
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文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31103
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 distortions due to Jahn-Teller effect for the monovalent d(9) (Ni(+), Pd(+), Pt(+)) impurity centers in AgCl crystals[J]. Journal of Alloys and Compounds,2010,507(2):498-501.
APA	W. L. Feng,W. Q. Yang,W. C. Zheng,&X. M. Li.(2010).Investigations of the spin-Hamiltonian parameters and tetragonal distortions due to Jahn-Teller effect for the monovalent d(9) (Ni(+), Pd(+), Pt(+)) impurity centers in AgCl crystals.Journal of Alloys and Compounds,507(2),498-501.
MLA	W. L. Feng,et al."Investigations of the spin-Hamiltonian parameters and tetragonal distortions due to Jahn-Teller effect for the monovalent d(9) (Ni(+), Pd(+), Pt(+)) impurity centers in AgCl crystals".Journal of Alloys and Compounds 507.2(2010):498-501.