| 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 Author | Wu, Shao-Yi(wushaoyi@netease.com) |
| 2008-12-15 | |
| Source Publication | SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
 |
| ISSN | 1386-1425 |
| Volume | 71Issue:4Pages:1307-1310 |
| Abstract | 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. |
| Keyword | Electron paramagnetic resonance Defect structures Crystal-fields and spin Hamiltonians Cu2+ ZnO |
| Funding Organization | Program for Academic Excellence of UESTC |
| DOI | 10.1016/j.saa.2008.04.005 |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | Program for Academic Excellence of UESTC |
| WOS Research Area | Spectroscopy |
| WOS Subject | Spectroscopy |
| WOS ID | WOS:000261249100023 |
| Publisher | PERGAMON-ELSEVIER SCIENCE LTD |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/93257 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Wu, Shao-Yi |
| Affiliation | 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 |
| 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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