Theoretical studies of lattice distortions around the impurity ions in V2+ doped CdCl2, CdI2 and PbI2

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	Theoretical studies of lattice distortions around the impurity ions in V2+ doped CdCl2, CdI2 and PbI2
	S. Y. Wu; X. Y. Gao; H. N. Dong
	2006
发表期刊	Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy
ISSN	1386-1425
卷号	63 期号:3 页码:754-758
摘要	The lattice distortions around the impurity ions in V2+ doped CdCl2. Cdl(2) and PbI2 are theoretically studied from the perturbation formulas of the spin Hamiltonian (SH) parameters zero-field splitting, g factors and the hyperfine structure constants for a 3d(3) ion in trigonal symmetry based on the cluster approach. In these formulas, the contributions from the s-orbitals of the ligands are taken into account. Based on the studies, it is found that the local angles beta (between the impurity-ligand bonding lengths and the C-3 axis) in the impurity centers are smaller than the angles beta(H) in the hosts. The calculated SH parameters based on the above local angles beta show better agreement than those on neglecting of the ligand s-orbital contributions (and those on the host angles beta(H)) with the experimental data, (c) 2005 Elsevier B.V. All rights reserved.
部门归属	univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. chongqing univ posts & telecommun, coll elect engn, chongqing 400065, peoples r china.;wu, sy (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;wushaoyi@netease.com
关键词	Electron Paramagnetic Resonance Mx2 (m = Cd x = Cl Impurity Structures Pb i) Crystal-fields And Spin Hamiltonians V2++ Electron-paramagnetic-resonance Superposition Model Cadmium Chloride Cr3++ Ions Crystals Spectroscopy Absorption Mn Co
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WOS记录号	WOS:000235637000035
引用统计	被引频次：9[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/34578
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. Y. Wu,X. Y. Gao,H. N. Dong. Theoretical studies of lattice distortions around the impurity ions in V2+ doped CdCl2, CdI2 and PbI2[J]. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,2006,63(3):754-758.
APA	S. Y. Wu,X. Y. Gao,&H. N. Dong.(2006).Theoretical studies of lattice distortions around the impurity ions in V2+ doped CdCl2, CdI2 and PbI2.Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,63(3),754-758.
MLA	S. Y. Wu,et al."Theoretical studies of lattice distortions around the impurity ions in V2+ doped CdCl2, CdI2 and PbI2".Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 63.3(2006):754-758.