Studies of the spin Hamiltonian parameters and local structure for ZnO:Cu2+

doi:10.1016/j.saa.2008.04.005

IMR OpenIR

	Studies of the spin Hamiltonian parameters and local structure for ZnO:Cu2+
	Wu, Shao-Yi 1,2; Wei, Li-Hua 1; Zhang, Zhi-Hong 1; Wang, Xue-Feng 1; Hu, Yue-Xia 1
通讯作者	Wu, Shao-Yi(wushaoyi@netease.com)
	2008-12-15
发表期刊	SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
ISSN	1386-1425
卷号	71 期号:4 页码:1307-1310
摘要	The spin Hamiltonian parameters (the g factors and the hyperfine structure constants) and local structure for ZnO:Cu2+ are theoretically studied from the perturbation formulas of these parameters for a 3d(9) ion under trigonally distorted tetrahedra. The ligand orbital and spin-orbit coupling contributions are taken into account from the cluster approach due to the significant covalency of the [CuO4](6-) cluster. According to the investigations, the impurity Cu2+ is Suggested not to locate on the ideal Zn2+ site in ZnO but to undergo a slight outward displacernent (approximate to 0.01 angstrom) away from the ligand triangle along C-3 axis. The calculated spin Hamiltonian parameters are in good agreement with the observed values. The validity of the above impurity displacement is also discussed. (C) 2008 Elsevier B.V. All rights reserved.
关键词	Electron paramagnetic resonance Defect structures Crystal-fields and spin Hamiltonians Cu2+ ZnO
资助者	Program for Academic Excellence of UESTC
DOI	10.1016/j.saa.2008.04.005
收录类别	SCI
语种	英语
资助项目	Program for Academic Excellence of UESTC
WOS研究方向	Spectroscopy
WOS类目	Spectroscopy
WOS记录号	WOS:000261249100023
出版者	PERGAMON-ELSEVIER SCIENCE LTD
引用统计	被引频次：11[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/321006/93257
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	Wu, Shao-Yi,Wei, Li-Hua,Zhang, Zhi-Hong,et al. Studies of the spin Hamiltonian parameters and local structure for ZnO:Cu2+[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2008,71(4):1307-1310.
APA	Wu, Shao-Yi,Wei, Li-Hua,Zhang, Zhi-Hong,Wang, Xue-Feng,&Hu, Yue-Xia.(2008).Studies of the spin Hamiltonian parameters and local structure for ZnO:Cu2+.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,71(4),1307-1310.
MLA	Wu, Shao-Yi,et al."Studies of the spin Hamiltonian parameters and local structure for ZnO:Cu2+".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 71.4(2008):1307-1310.