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Studies of the spin Hamiltonian parameters and local structure for ZnO:Cu2+
Wu, Shao-Yi1,2; Wei, Li-Hua1; Zhang, Zhi-Hong1; Wang, Xue-Feng1; Hu, Yue-Xia1
Corresponding AuthorWu, Shao-Yi(wushaoyi@netease.com)
2008-12-15
Source PublicationSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
ISSN1386-1425
Volume71Issue:4Pages:1307-1310
AbstractThe 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.
KeywordElectron paramagnetic resonance Defect structures Crystal-fields and spin Hamiltonians Cu2+ ZnO
Funding OrganizationProgram for Academic Excellence of UESTC
DOI10.1016/j.saa.2008.04.005
Indexed BySCI
Language英语
Funding ProjectProgram for Academic Excellence of UESTC
WOS Research AreaSpectroscopy
WOS SubjectSpectroscopy
WOS IDWOS:000261249100023
PublisherPERGAMON-ELSEVIER SCIENCE LTD
Citation statistics
Cited Times:10[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/93257
Collection中国科学院金属研究所
Corresponding AuthorWu, Shao-Yi
Affiliation1.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
Recommended Citation
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.
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