Theoretical investigations of the local structure and the g factors for the tetragonal Ru3+ center in PbTiO3

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	Theoretical investigations of the local structure and the g factors for the tetragonal Ru3+ center in PbTiO3; Theoretical investigations of the local structure and the g factors for the tetragonal Ru3+ center in PbTiO3
	S. Y. Wu; Q. Fu; J. S. Yao; H. M. Zhang
	2007 ; 2007
发表期刊	Radiation Effects and Defects in Solids ; Radiation Effects and Defects in Solids
ISSN	1042-0150 ; 1042-0150
卷号	162 期号:9 页码:627-632
摘要	The local structure and the g factors for the tetragonal Ru3+ center in PbTiO3 are theoretically studied from the perturbation formulas of the g factors for a 4d(5) ion in tetragonally distorted octahedra. From the studies, the distance between the impurity Ru3+ and the center of the oxygen octahedron is found to be about 0.283 angstrom, which is smaller than that (approximate to 0.3 angstrom) for the host Ti4+ site. It appears that the impurity may not occupy exactly the host Ti4+ site but suffer a slight inward shift toward the center of the oxygen octahedron. The calculated g factors based on the above local structure show good agreement with the experimental values.; The local structure and the g factors for the tetragonal Ru3+ center in PbTiO3 are theoretically studied from the perturbation formulas of the g factors for a 4d(5) ion in tetragonally distorted octahedra. From the studies, the distance between the impurity Ru3+ and the center of the oxygen octahedron is found to be about 0.283 angstrom, which is smaller than that (approximate to 0.3 angstrom) for the host Ti4+ site. It appears that the impurity may not occupy exactly the host Ti4+ site but suffer a slight inward shift toward the center of the oxygen octahedron. The calculated g factors based on the above local structure show good agreement with the experimental values.
部门归属	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 ; 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
关键词	Defect Structures Defect Structures Electron Paramagnetic Resonance Electron Paramagnetic Resonance Crystal-fields And Crystal-fields And Spin Hamiltonian Spin Hamiltonian Ru3++ Ru3++ Pbtio3 Pbtio3 Electron-paramagnetic-resonance Electron-paramagnetic-resonance Atomic Screening Constants Atomic Screening Constants Spin-resonance Spin-resonance Lead Titanate Lead Titanate Scf Functions Scf Functions Crystals Crystals Ions Ions Cr3++ Cr3++ Nanopowders Nanopowders Epr Epr
URL	查看原文 ; 查看原文
WOS记录号	WOS:000248974000001 ; WOS:000248974000001
引用统计	被引频次：3[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/33913
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. Y. Wu,Q. Fu,J. S. Yao,et al. Theoretical investigations of the local structure and the g factors for the tetragonal Ru3+ center in PbTiO3, Theoretical investigations of the local structure and the g factors for the tetragonal Ru3+ center in PbTiO3[J]. Radiation Effects and Defects in Solids, Radiation Effects and Defects in Solids,2007, 2007,162, 162(9):627-632, 627-632.
APA	S. Y. Wu,Q. Fu,J. S. Yao,&H. M. Zhang.(2007).Theoretical investigations of the local structure and the g factors for the tetragonal Ru3+ center in PbTiO3.Radiation Effects and Defects in Solids,162(9),627-632.
MLA	S. Y. Wu,et al."Theoretical investigations of the local structure and the g factors for the tetragonal Ru3+ center in PbTiO3".Radiation Effects and Defects in Solids 162.9(2007):627-632.