EPR theoretical study of the local lattice structure of Fe3+ doped in MgTiO3 and LiTaO3

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	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
发表期刊	Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences
ISSN	0932-0784
卷号	62 期号:1-2 页码:101-106
摘要	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.
部门归属	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
关键词	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++
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WOS记录号	WOS:000245210700014
引用统计
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/33770
专题	中国科学院金属研究所
推荐引用方式 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.