Theoretical study of the dependence of EPR spectra on local structure for octahedral Cr(3+) centres in oxides and fluorides series

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	Theoretical study of the dependence of EPR spectra on local structure for octahedral Cr(3+) centres in oxides and fluorides series
	R. P. Chai; X. Y. Kuang; M. L. Duan; C. X. Zhang; H. L. Guo
	2008
发表期刊	Molecular Physics
ISSN	0026-8976
卷号	106 期号:8 页码:999-1006
摘要	A theoretical method for investigating the inter-relation between the EPR parameters and local structure has been established on the basis of the complete energy matrices for 3d(3) configuration ions in both the trigonal and tetragonal ligand fields. By means of this method, the local structure of the octahedral Cr(3+) centres in double molybdates series and spinels series as well as the perovskite-type fluorides series has been studied systematically. Furthermore, the dependence of the EPR zero-field splitting parameter D on the local structure parameters in both trigonal and tetragonal ligand-fields has been revealed, simultaneously. The inter-relation between the EPR parameters D and Delta g(g(parallel to)-g(perpendicular to)) is also elucidated.
部门归属	[chai, rui-peng; kuang, xiao-yu; duan, mei-ling; zhang, cai-xia; guo, hong-li] 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	Epr Spectra Local Lattice Structure Cr(3+) Centres Electron-paramagnetic-res Superposition-model Analysis Nuclear Double-resonance Phase-transitions Crystal Fields Ions Spinel Cr-3 Chromium(Iii) Znga2o4
URL	查看原文
WOS记录号	WOS:000257899800004
引用统计	被引频次：7[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/321006/32655
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	R. P. Chai,X. Y. Kuang,M. L. Duan,et al. Theoretical study of the dependence of EPR spectra on local structure for octahedral Cr(3+) centres in oxides and fluorides series[J]. Molecular Physics,2008,106(8):999-1006.
APA	R. P. Chai,X. Y. Kuang,M. L. Duan,C. X. Zhang,&H. L. Guo.(2008).Theoretical study of the dependence of EPR spectra on local structure for octahedral Cr(3+) centres in oxides and fluorides series.Molecular Physics,106(8),999-1006.
MLA	R. P. Chai,et al."Theoretical study of the dependence of EPR spectra on local structure for octahedral Cr(3+) centres in oxides and fluorides series".Molecular Physics 106.8(2008):999-1006.