| Studies of the spin Hamiltonian parameters and local structure for ZnO:Cu(2+) | |
| S. Y. Wu; L. H. Wei; Z. H. Zhang; X. F. Wang; Y. X. Hu | |
| 2008 | |
| 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:Cu(2+) 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 [CuO(4)](6-) cluster. According to the investigations, the impurity Cu(2+) is Suggested not to locate on the ideal Zn(2+) 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. |
| description.department | [wu, shao-yi; wei, li-hua; zhang, zhi-hong; wang, xue-feng; hu, yue-xia] univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. [wu, shao-yi] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;wu, sy (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;wushaoyi@netease.com |
| Keyword | Electron Paramagnetic Resonance Defect Structures Crystal-fields And Spin Hamiltonians Cu(2+) Zno Electron-paramagnetic-resonance Atomic Screening Constants Zno Crystals Scf Functions Methanol Semiconductors Impurities Catalysts Hydrogen Ions |
| URL | 查看原文 |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/33210 |
| Collection | 中国科学院金属研究所 |
| Recommended Citation GB/T 7714 | S. Y. Wu,L. H. Wei,Z. H. Zhang,et al. Studies of the spin Hamiltonian parameters and local structure for ZnO:Cu(2+)[J]. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,2008,71(4):1307-1310. |
| APA | S. Y. Wu,L. H. Wei,Z. H. Zhang,X. F. Wang,&Y. X. Hu.(2008).Studies of the spin Hamiltonian parameters and local structure for ZnO:Cu(2+).Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,71(4),1307-1310. |
| MLA | S. Y. Wu,et al."Studies of the spin Hamiltonian parameters and local structure for ZnO:Cu(2+)".Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 71.4(2008):1307-1310. |
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