Studies of EPR parameters and local structure for Cr3+ in NaInS2 crystal

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	Studies of EPR parameters and local structure for Cr3+ in NaInS2 crystal
	Y. Mei; W. C. Zheng; X. X. Wu; Q. Zhou
	2005
发表期刊	Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences
ISSN	0932-0784
卷号	60 期号:1-2 页码:91-94
摘要	The EPR parameters (zero-field splitting D and g factors g(parallel to), g(perpendicular to)) of Cr3+ in a NaInS2 crystal are calculated from high-order perturbation formulas based on the two spin-orbit coupling parameter model for the EPR parameters of 3d(3) ions in trigonal octahedral sites. In the calculations, both the contribution to EPR parameters from the spin-orbit coupling parameter of the central 3d(3) ion and that of ligands are considered. From the calculations it is found that, to explain reasonably the EPR parameters, the local structure (in particular the local trigonal distortion angle theta) in the vicinity of the Cr3+ impurity is different from the corresponding structure in the host crystal. The change of the local angle theta with temperature is also obtained from the temperature dependence of zero-field splitting. The results are discussed.
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;zhengwc1@163.com
关键词	Electron Paramagnetic Resonance Defect Structure Crystal- And Ligand-field Theory Cr3++ Nains2 Superposition Model Analysis Electron-paramagnetic-resonance Atomic Screening Constants Temperature-dependence Single-crystals Scf Functions Field Ions Fluoroperovskite Displacement
URL	查看原文
WOS记录号	WOS:000227952300015
引用统计	被引频次：3[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/321006/34982
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. Mei,W. C. Zheng,X. X. Wu,et al. Studies of EPR parameters and local structure for Cr3+ in NaInS2 crystal[J]. Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,2005,60(1-2):91-94.
APA	Y. Mei,W. C. Zheng,X. X. Wu,&Q. Zhou.(2005).Studies of EPR parameters and local structure for Cr3+ in NaInS2 crystal.Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,60(1-2),91-94.
MLA	Y. Mei,et al."Studies of EPR parameters and local structure for Cr3+ in NaInS2 crystal".Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences 60.1-2(2005):91-94.