Structural, spectral characterization and electron paramagnetic resonance studies of Ni(2+) ions in various compounds: KZnF(3), CdCl(2), CdBr(2) and CsMgI(3)

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	Structural, spectral characterization and electron paramagnetic resonance studies of Ni(2+) ions in various compounds: KZnF(3), CdCl(2), CdBr(2) and CsMgI(3)
	Y. R. Zhao; X. Y. Kuang; C. Lu; M. L. Duan; B. B. Zheng
	2009
发表期刊	Molecular Physics
ISSN	0026-8976
卷号	107 期号:2 页码:133-141
摘要	The electron paramagnetic resonance (EPR) parameters (zero-field splitting D, and g-factors g(parallel to), g(perpendicular to) ?) for d(8) Ni(2+) ions in tetragonal ligand fields KZnF(3): Ni(2+) or in trigonal ligand fields CdCl(2)(CdBr(2) and CsMgI(3)) : Ni(2+) complexes have been systematically studied on the basis of the 45 x 45 complete energy matrices. The local structural distortion parameters of the crystals obtained are Delta R(1) = 0.0355 angstrom, Delta R(2) = 0.0296 angstrom for KZnF(3) : Ni(2+), Delta R = 0.1730 angstrom, Delta theta = -1.5695 degrees for CdCl(2): Ni(2+), Delta R = -0.0381 angstrom, Delta theta = -2.6236 degrees for CdBr(2) : Ni(2+) and Delta R = -0.0267 angstrom, Delta theta = -1.8967 degrees for CsMgI(3): Ni(2+). The calculated results show that the local structures exhibit elongation distortion for KZnF(3) : Ni(2+) and compression distortions for Ni(2+) : CdCl(2) (CdBr(2) and CsMgI(3)) systems. Further, the relationships between ZFS parameter D and structural parameters (theta, R) are studied and the influence of the orbit reduction factor k on g-factors (Delta g,g) are discussed.
部门归属	[zhao, ya-ru; kuang, xiao-yu; lu, cheng; duan, mei-ling; zheng, bao-bing] sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. [kuang, xiao-yu] acad sinica, int ctr mat phys, shenyang 110016, peoples r china.;kuang, xy (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;scu_kuang@163.com
关键词	Local Lattice Structures Electron Paramagnetic Resonance Complete Energy Matrices Single-crystals Spin-resonance Epr-spectra State Luminescence Absorption Field Nii2 Mn2 Spectroscopy
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/32606
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. R. Zhao,X. Y. Kuang,C. Lu,et al. Structural, spectral characterization and electron paramagnetic resonance studies of Ni(2+) ions in various compounds: KZnF(3), CdCl(2), CdBr(2) and CsMgI(3)[J]. Molecular Physics,2009,107(2):133-141.
APA	Y. R. Zhao,X. Y. Kuang,C. Lu,M. L. Duan,&B. B. Zheng.(2009).Structural, spectral characterization and electron paramagnetic resonance studies of Ni(2+) ions in various compounds: KZnF(3), CdCl(2), CdBr(2) and CsMgI(3).Molecular Physics,107(2),133-141.
MLA	Y. R. Zhao,et al."Structural, spectral characterization and electron paramagnetic resonance studies of Ni(2+) ions in various compounds: KZnF(3), CdCl(2), CdBr(2) and CsMgI(3)".Molecular Physics 107.2(2009):133-141.