EPR parameters and local geometry for Cr3+ and V2+ ions in HfS2 crystals

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	EPR parameters and local geometry for Cr3+ and V2+ ions in HfS2 crystals
	Q. Zhou; W. C. Zheng; X. X. Wu; Y. Mei
	2005
发表期刊	Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy
ISSN	1386-1425
卷号	62 期号:4-5 页码:769-772
摘要	From the high-order perturbation formulas of EPR parameters (zero-field splitting D, g factors g(parallel to), g(perpendicular to) and hyperfine structure constants A(parallel to), A(perpendicular to)) based on the two spin-orbit coupling parameter model for 3d(3) ions in trigonal symmetry, the EPR parameters of Cr3+ and V2+ ions in HfS2 crystals are calculated. From the calculations, it is found that the local trigonal distortion angle theta of impurity center in HfS2:Cr3+ is smaller than that in HfS2 :V2+. The dominant cause of the small zero-field splitting vertical bar D vertical bar and g-anisotropy vertical bar Delta g vertical bar = vertical bar g(parallel to) - g(perpendicular to)vertical bar in HfS2:Cr3+ (compound to HfS2 :V2+) is due to the small local trigonal distortion angle theta rather than to the small impurity-ligand distance R in HfS2:Cr3+. (c) 2005 Elsevier B.V. All rights reserved.
部门归属	sichuan univ, dept mat sci, chengdu 610064, peoples r china. civil aviat flying inst china, dept phys, guanghan 618307, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;zheng, wc (reprint author), sichuan univ, dept mat sci, chengdu 610064, peoples r china, peoples r china;zhengwc1@163.com
关键词	Local Structure Electron Paramagnetic Resonance Crystal- And Ligand-field Theory Cr3++ V2++ Hfs2 Atomic Screening Constants Superposition Model Scf Functions Field Impurities Spectrum Sites Mn2++ D3
URL	查看原文
WOS记录号	WOS:000233930600003
引用统计	被引频次：10[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/321006/35296
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Q. Zhou,W. C. Zheng,X. X. Wu,et al. EPR parameters and local geometry for Cr3+ and V2+ ions in HfS2 crystals[J]. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,2005,62(4-5):769-772.
APA	Q. Zhou,W. C. Zheng,X. X. Wu,&Y. Mei.(2005).EPR parameters and local geometry for Cr3+ and V2+ ions in HfS2 crystals.Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,62(4-5),769-772.
MLA	Q. Zhou,et al."EPR parameters and local geometry for Cr3+ and V2+ ions in HfS2 crystals".Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 62.4-5(2005):769-772.