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

doi:10.1016/j.saa.2008.04.005

CORC > 金属研究所 > 中国科学院金属研究所

	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
刊名	SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
	2008-12-15
卷号	71 期号:4 页码:1307-1310
关键词	Electron paramagnetic resonance Defect structures Crystal-fields and spin Hamiltonians Cu2+ ZnO
ISSN号	1386-1425
DOI	10.1016/j.saa.2008.04.005
通讯作者	Wu, Shao-Yi(wushaoyi@netease.com)
英文摘要	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.
资助项目	Program for Academic Excellence of UESTC
WOS研究方向	Spectroscopy
语种	英语
出版者	PERGAMON-ELSEVIER SCIENCE LTD
WOS记录号	WOS:000261249100023
资助机构	Program for Academic Excellence of UESTC
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/93254]
专题	金属研究所_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.