| EPR theoretical study of the local lattice structure of Fe3+ doped in MgTiO3 and LiTaO3 | |
| L. L. Pan; X. Y. Kuang; G. D. Li; H. Wang | |
| 2007 | |
| Source Publication | Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences
 |
| ISSN | 0932-0784 |
| Volume | 62Issue:1-2Pages:101-106 |
| Abstract | The EPR zero-field splittings of Fe3+ doped in MgTiO3 and LiTaO3 are studied by diagonalizing the complete energy matrices of the electron-electron repulsion, ligand-field and spin-orbit coupling interactions for a d(5) configuration ion in a trigonal ligand-field. It is shown that, when Fe3+ is doped in a MgTiO3 or LiTaO3 crystal, the local lattice structure around the octahedral Fe3+ center has an obvious distortion along the C-3 axis. By simulating the second- and fourth-order EPR parameters D and (a - F) simultaneously, the local structure parameters of Fe3+ doped in MgTiO3 and LiTaO3 crystals are determined, which reveal that Fe3+ occupies both the Mg2+ and T& sites in the MgTiO3:Fe3+ system and Occupies the Li+ site rather than the Ta5+ site in the LiTao(3):Fe3+ system. The results accord with the ENDOR and EPR experiments. - PACS numbers: 71.70.Gm; 75.30.Et; 71.70.Ch. |
| description.department | sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. acad sinica, int ctr mat phys, shenyang 110016, peoples r china.;pan, ll (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;panlei225@163.com |
| Keyword | Mgtio3 : Fe3++ And Litao3 : Fe3++ Systems Local Lattice Structure Epr Spectrum Electron-paramagnetic-resonance Magnesium Titanate X-ray Crystal Ions Sites Spectrum Centers Linbo3 Fe-3++ |
| URL | 查看原文 |
| WOS ID | WOS:000245210700014 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/33770 |
| Collection | 中国科学院金属研究所 |
| Recommended Citation GB/T 7714 | L. L. Pan,X. Y. Kuang,G. D. Li,et al. EPR theoretical study of the local lattice structure of Fe3+ doped in MgTiO3 and LiTaO3[J]. Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,2007,62(1-2):101-106. |
| APA | L. L. Pan,X. Y. Kuang,G. D. Li,&H. Wang.(2007).EPR theoretical study of the local lattice structure of Fe3+ doped in MgTiO3 and LiTaO3.Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,62(1-2),101-106. |
| MLA | L. L. Pan,et al."EPR theoretical study of the local lattice structure of Fe3+ doped in MgTiO3 and LiTaO3".Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences 62.1-2(2007):101-106. |
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