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Structural, spectral characterization and electron paramagnetic resonance studies of Ni2+ ions in various compounds: KZnF3, CdCl2, CdBr2 and CsMgI3
Zhao, Ya-Ru1; Kuang, Xiao-Yu1,2; Lu, Cheng1; Duan, Mei-Ling1; Zheng, Bao-Bing1
Corresponding AuthorKuang, Xiao-Yu(scu_kuang@163.com)
2009
Source PublicationMOLECULAR PHYSICS
ISSN0026-8976
Volume107Issue:2Pages:133-141
AbstractThe electron paramagnetic resonance (EPR) parameters (zero-field splitting D, and g-factors g(parallel to), g(perpendicular to) ?) for d(8) Ni2+ ions in tetragonal ligand fields KZnF3: Ni2+ or in trigonal ligand fields CdCl2(CdBr2 and CsMgI3) : Ni2+ 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 KZnF3 : Ni2+, Delta R = 0.1730 angstrom, Delta theta = -1.5695 degrees for CdCl2: Ni2+, Delta R = -0.0381 angstrom, Delta theta = -2.6236 degrees for CdBr2 : Ni2+ and Delta R = -0.0267 angstrom, Delta theta = -1.8967 degrees for CsMgI3: Ni2+. The calculated results show that the local structures exhibit elongation distortion for KZnF3 : Ni2+ and compression distortions for Ni2+ : CdCl2 (CdBr2 and CsMgI3) 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.
Keywordlocal lattice structures electron paramagnetic resonance complete energy matrices
Funding OrganizationNational Natural Science Foundation of China ; Doctoral Education Fund of Education Ministry of China
DOI10.1080/00268970902724914
Indexed BySCI
Language英语
Funding ProjectNational Natural Science Foundation of China[10774103] ; Doctoral Education Fund of Education Ministry of China[20050610011]
WOS Research AreaPhysics
WOS SubjectPhysics, Atomic, Molecular & Chemical
WOS IDWOS:000265289500002
PublisherTAYLOR & FRANCIS LTD
Citation statistics
Cited Times:5[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/96222
Collection中国科学院金属研究所
Corresponding AuthorKuang, Xiao-Yu
Affiliation1.Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China
2.Acad Sinica, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
Recommended Citation
GB/T 7714
Zhao, Ya-Ru,Kuang, Xiao-Yu,Lu, Cheng,et al. Structural, spectral characterization and electron paramagnetic resonance studies of Ni2+ ions in various compounds: KZnF3, CdCl2, CdBr2 and CsMgI3[J]. MOLECULAR PHYSICS,2009,107(2):133-141.
APA Zhao, Ya-Ru,Kuang, Xiao-Yu,Lu, Cheng,Duan, Mei-Ling,&Zheng, Bao-Bing.(2009).Structural, spectral characterization and electron paramagnetic resonance studies of Ni2+ ions in various compounds: KZnF3, CdCl2, CdBr2 and CsMgI3.MOLECULAR PHYSICS,107(2),133-141.
MLA Zhao, Ya-Ru,et al."Structural, spectral characterization and electron paramagnetic resonance studies of Ni2+ ions in various compounds: KZnF3, CdCl2, CdBr2 and CsMgI3".MOLECULAR PHYSICS 107.2(2009):133-141.
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