| Local molecular structure and thermal expansion coefficient for octahedral Fe(3+) center in AlF(3): Fe(3+) system | |
| J. F. Li; X. Y. Kuang; A. Mao; H. Wang | |
| 2008 | |
| Source Publication | Journal of Alloys and Compounds
 |
| ISSN | 0925-8388 |
| Volume | 456Issue:1-2Pages:41197 |
| Abstract | A theoretical method for studying the inter-relation between electronic and molecular structure has been proposed by diagonalizing the complete energy matrices for d(5) configuration ion in a trigonal ligand-field. Based on this method, the local lattice distortion of Fe(3+) in AlF(3):Fe(3+) system (AlF(3) is the component of fluoride glasses or is the single crystal) has been studied by considering the second-order and fourth-order EPR parameters D and (a - F), simultaneously. The results indicate that the local lattice structure around octahedral Fe(3+) center has an expansion distortion whether AlF(3):Fe(3+) is the component of fluoride glasses or Fe(3+) is doped in the AlF(3) single crystal. The expansion distortion may be ascribed to the fact that the radius of Fe(3+) ion is larger than that of Al(3+) ion, and the Fe(3+) ion will push the fluoride ligand outwards, respectively. Furthermore, the thermal expansion coefficient of Fe(3+) in the single crystal AlF(3):Fe(3+) depending on the temperature are reported and some characteristics of it are also analyzed. (C) 2007 Published by Elsevier B.V. |
| description.department | [li, ju-fen; kuang, xiao-yu; mao, ai-jie; wang, hui] sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. [kuang, xiao-yu] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;kuang, xy (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;scu_kxy@163.com |
| Keyword | Alf(3): Fe(3+) System Local Lattice Structure Distortion Epr Spectrum Ligand-fields Theory Thermal Expansion Coefficient Electron-paramagnetic-resonance Metal Fluoride Glasses Spin Transition Phase-transition Epr Temperature Compound Spectra Field Ions |
| URL | 查看原文 |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/32874 |
| Collection | 中国科学院金属研究所 |
| Recommended Citation GB/T 7714 | J. F. Li,X. Y. Kuang,A. Mao,et al. Local molecular structure and thermal expansion coefficient for octahedral Fe(3+) center in AlF(3): Fe(3+) system[J]. Journal of Alloys and Compounds,2008,456(1-2):41197. |
| APA | J. F. Li,X. Y. Kuang,A. Mao,&H. Wang.(2008).Local molecular structure and thermal expansion coefficient for octahedral Fe(3+) center in AlF(3): Fe(3+) system.Journal of Alloys and Compounds,456(1-2),41197. |
| MLA | J. F. Li,et al."Local molecular structure and thermal expansion coefficient for octahedral Fe(3+) center in AlF(3): Fe(3+) system".Journal of Alloys and Compounds 456.1-2(2008):41197. |
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