Theoretical investigations of the defect structure and the g factors of a tetragonal Ni3+ center in PbTiO3

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	Theoretical investigations of the defect structure and the g factors of a tetragonal Ni3+ center in PbTiO3
	S. Y. Wu; H. M. Zhang; G. D. Lu; J. S. Yao
	2007
发表期刊	Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences
ISSN	0932-0784
卷号	62 期号:5-6 页码:338-342
摘要	The defect structure and the anisotropic g factors of a tetragonal Ni3+ center in PbTiO3 are theoretically investigated from improved perturbation formulas of the g factors for a 3d(7) ion with low spin S = 1/2 in tetragonally elongated octahedra, established in this work. Based on the studies, the distance between the impurity Ni3+ and the center of the oxygen octahedron is found to be about 0.14 A, which is smaller than that (approximate to 0.3 angstrom) for the host Ti4+ site due to the inward shift (approximate to 0.16 angstrom) towards the center of the oxygen octahedron. The theoretical g factors based on the above defect structure agree well with the observed 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
关键词	Defect Structures Electron Paramagnetic Resonance Crystal-fields And Spin Hamiltonian Ni3++ Pbtio3 Electron-paramagnetic-resonance Atomic Screening Constants Superposition Model Epr Parameters Lead Titanate Scf Functions Ions Crystals Cr3++ Nanopowders
URL	查看原文
WOS记录号	WOS:000248180600016
引用统计	被引频次：10[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/321006/33919
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. Y. Wu,H. M. Zhang,G. D. Lu,et al. Theoretical investigations of the defect structure and the g factors of a tetragonal Ni3+ center in PbTiO3[J]. Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,2007,62(5-6):338-342.
APA	S. Y. Wu,H. M. Zhang,G. D. Lu,&J. S. Yao.(2007).Theoretical investigations of the defect structure and the g factors of a tetragonal Ni3+ center in PbTiO3.Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,62(5-6),338-342.
MLA	S. Y. Wu,et al."Theoretical investigations of the defect structure and the g factors of a tetragonal Ni3+ center in PbTiO3".Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences 62.5-6(2007):338-342.