| Theoretical evaluation of the electron paramagnetic resonance spin Hamiltonian parameters for the impurity displacements for Fe3+ and Ru3+ in corundum | |
| Q. Fu; S. Y. Wu; J. Z. Lin; J. S. Yao | |
| 2007 | |
| Source Publication | Pramana-Journal of Physics
 |
| ISSN | 0304-4289 |
| Volume | 68Issue:3Pages:499-506 |
| Abstract | The impurity displacements for Fe3+ and Ru3+ in corundum (Al2O3) are theoretically studied using the perturbation formulas of the spin Hamiltonian parameters (zero-field splitting and anisotropic g factors) for a 3d(5) (with high spin S = 5/2) and a 4d(5) (with low spin S = 1/2) ion in trigonal symmetry, respectively. According to the investigations, the nd(5) (n = 3 and 4) impurity ions may not locate at the ideal Al3+ site but undergo axial displacements by about 0.132 angstrom and 0.170 angstrom for Fe3+ and Ru3+, respectively, away from the center of the ligand octahedron along the C-3 axis. The calculated spin Hamiltonian parameters based on the above axial displacements show good agreement with the observed values. The validity of the results is discussed. |
| description.department | univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. 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;shaoyi_wu@163.com |
| Keyword | Defect Structures Electron Paramagnetic Resonance (Epr) Crystal Fields And Spin Hamiltonians Fe3++ Ru3++ Corundum Transition-metal Ions Optical-spectra Crystal-field Al2o3 Crystal Symmetry Ruby Sapphire Linbo3 Sites |
| URL | 查看原文 |
| WOS ID | WOS:000245219900013 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/33540 |
| Collection | 中国科学院金属研究所 |
| Recommended Citation GB/T 7714 | Q. Fu,S. Y. Wu,J. Z. Lin,et al. Theoretical evaluation of the electron paramagnetic resonance spin Hamiltonian parameters for the impurity displacements for Fe3+ and Ru3+ in corundum[J]. Pramana-Journal of Physics,2007,68(3):499-506. |
| APA | Q. Fu,S. Y. Wu,J. Z. Lin,&J. S. Yao.(2007).Theoretical evaluation of the electron paramagnetic resonance spin Hamiltonian parameters for the impurity displacements for Fe3+ and Ru3+ in corundum.Pramana-Journal of Physics,68(3),499-506. |
| MLA | Q. Fu,et al."Theoretical evaluation of the electron paramagnetic resonance spin Hamiltonian parameters for the impurity displacements for Fe3+ and Ru3+ in corundum".Pramana-Journal of Physics 68.3(2007):499-506. |
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