Calculation of the EPR parameters and the local structure for Fe+ on the Zn2+ site of ZnSiP2

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	Calculation of the EPR parameters and the local structure for Fe+ on the Zn2+ site of ZnSiP2
	S. Y. Wu; W. H. Wei; H. N. Dong
	2004
发表期刊	Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences
ISSN	0932-0784
卷号	59 期号:11 页码:769-772
摘要	The zero-field splitting D, g factors g(\\) and g(perpendicular to) and the local structure near Fe+ on the Zn2+ site of ZnSiP2 are calculated from high-order perturbation formulas of the EPR parameters for a 3d(7) ion in tetragonally distorted tetrahedra based on the cluster approach. According to these studies, we find that the impurity-ligand bonding angle alpha1(oc), related to the fourfold axis is about 58.05degrees in the studied Fe+ impurity center, which is larger than the metal-ligand bonding angle alpha(h) (approximate to56.65degrees) in pure ZnSiP2. The EPR parameters based on the above angle alpha(loc), agree well with the observed values. The errors of the results are analyzed.
部门归属	univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. chongqing univ post & telecommun, coll elect engn, chongqing 400065, peoples r china.;wu, sy (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;shaoyi-wu@163.com
关键词	Electron Paramagnetic Resonance (Epr) Defect Structure Crystal- And Ligand-field Theory Fe++ Znsip2 Electron-paramagnetic Resonance Atomic Screening Constants Scf Functions Crystal Semiconductors Absorption Aggas2 Cdsip2 Ions Cr2
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WOS记录号	WOS:000225827700006
引用统计	被引频次：4[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/321006/35635
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. Y. Wu,W. H. Wei,H. N. Dong. Calculation of the EPR parameters and the local structure for Fe+ on the Zn2+ site of ZnSiP2[J]. Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,2004,59(11):769-772.
APA	S. Y. Wu,W. H. Wei,&H. N. Dong.(2004).Calculation of the EPR parameters and the local structure for Fe+ on the Zn2+ site of ZnSiP2.Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,59(11),769-772.
MLA	S. Y. Wu,et al."Calculation of the EPR parameters and the local structure for Fe+ on the Zn2+ site of ZnSiP2".Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences 59.11(2004):769-772.