Theoretical investigations of the local structures and the g factors for 3d(9) ions in CdS

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	Theoretical investigations of the local structures and the g factors for 3d(9) ions in CdS
	S. Y. Wu; H. M. Zhang; H. N. Dong; X. F. Wang; Y. X. Hu
	2009
发表期刊	Physics and Chemistry of Minerals
ISSN	0342-1791
卷号	36 期号:9 页码:483-487
摘要	The local structures and the g factors g (//) and g (aSyen) for the isoelectronic 3d(9) ions Cu(2+) and Ni(+) in CdS are theoretically investigated from the perturbation formulas of these parameters for a 3d(9) ion under trigonally distorted tetrahedral environments. In consideration of significant covalency of the [MS(4)] combinations (M = Cu and Ni), the ligand orbital and spin-orbit coupling contributions are taken into account using the cluster approach. Based on the studies, the substitutional impurity Cu(2+) (or Ni(+)) on Cd(2+) site is found to undergo a small inward displacement 0.026 (or a slight outward shift 0.017 ) towards (or away from) the ligand triangle along C (3) axis. The theoretical g factors for both ions based on the above impurity displacements are in good agreement with the experimental data.
部门归属	[wu, s. y.; zhang, h. m.; wang, x. f.; hu, y. x.] univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. [wu, s. y.; dong, h. n.] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. [dong, h. n.] chongqing univ posts & 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;wushaoyi@netease.com
关键词	Electron Paramagnetic Resonance Defect Structures Crystal-fields And Spin Hamiltonians Cu(2+) Ni(+) Cds Electron-paramagnetic-resonance Atomic Screening Constants Defect Structures Crystal-field 3d Impurities Scf Functions Semiconductors Parameters Epr Spectra
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WOS记录号	WOS:000269915000001
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/321006/32432
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. Y. Wu,H. M. Zhang,H. N. Dong,et al. Theoretical investigations of the local structures and the g factors for 3d(9) ions in CdS[J]. Physics and Chemistry of Minerals,2009,36(9):483-487.
APA	S. Y. Wu,H. M. Zhang,H. N. Dong,X. F. Wang,&Y. X. Hu.(2009).Theoretical investigations of the local structures and the g factors for 3d(9) ions in CdS.Physics and Chemistry of Minerals,36(9),483-487.
MLA	S. Y. Wu,et al."Theoretical investigations of the local structures and the g factors for 3d(9) ions in CdS".Physics and Chemistry of Minerals 36.9(2009):483-487.