Investigations of the spin Hamiltonian parameters for the cubic Mn2+ centers in ZnX (X = S, Se, Te) and CdTe

doi:10.1139/P10-012

IMR OpenIR

	Investigations of the spin Hamiltonian parameters for the cubic Mn2+ centers in ZnX (X = S, Se, Te) and CdTe
	Wang, Xue-Feng 1; Wu, Shao-Yi 1,2; Li, Li-Li 1; Zhang, Shan-Xiang 1
通讯作者	Wu, Shao-Yi(shaoyi_wu@163.com)
	2010-05-01
发表期刊	CANADIAN JOURNAL OF PHYSICS
ISSN	0008-4204
卷号	88 期号:5 页码:301-306
摘要	The spin Hamiltonian parameters (g factors and the hyperfine structure constants) for the cubic Mn2+ centers in ZnX (X = S, Se, Te) and CdTe are investigated theoretically using the perturbation formulas of these parameters for a tetrahedral 3d(5) cluster containing both the crystal-field and charge-transfer contributions. The relevant molecular orbital coefficients are uniformly determined from the cluster approach, and the calculated spin Hamiltonian parameters are in good agreement with the observed values. The g-shifts of the g factors related to the pure spin value g(s) (approximate to 2.0023) arising from the charge transfer contributions are opposite (positive) in sign and much larger in magnitude than those from the crystal field contributions. On the other hand, the contributions from the charge-transfer mechanism to the hyperfine structure constants are the same in sign and about 20%-30% in magnitude of those from the crystal-field mechanism. The importance of the charge transfer contributions increases significantly with the increase of the covalency and the spin-orbit coupling coefficient of the ligand, i.e., S2- < Se2- < Te2-.
资助者	UESTC
DOI	10.1139/P10-012
收录类别	SCI
语种	英语
资助项目	UESTC
WOS研究方向	Physics
WOS类目	Physics, Multidisciplinary
WOS记录号	WOS:000279225100001
出版者	CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS
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/321006/101976
专题	中国科学院金属研究所
通讯作者	Wu, Shao-Yi
作者单位	1.Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China 2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Wang, Xue-Feng,Wu, Shao-Yi,Li, Li-Li,et al. Investigations of the spin Hamiltonian parameters for the cubic Mn2+ centers in ZnX (X = S, Se, Te) and CdTe[J]. CANADIAN JOURNAL OF PHYSICS,2010,88(5):301-306.
APA	Wang, Xue-Feng,Wu, Shao-Yi,Li, Li-Li,&Zhang, Shan-Xiang.(2010).Investigations of the spin Hamiltonian parameters for the cubic Mn2+ centers in ZnX (X = S, Se, Te) and CdTe.CANADIAN JOURNAL OF PHYSICS,88(5),301-306.
MLA	Wang, Xue-Feng,et al."Investigations of the spin Hamiltonian parameters for the cubic Mn2+ centers in ZnX (X = S, Se, Te) and CdTe".CANADIAN JOURNAL OF PHYSICS 88.5(2010):301-306.