Theoretical investigations on the local structures and the g factors of three Ni3+ centers in LaSrAl1-xNixO4

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	Theoretical investigations on the local structures and the g factors of three Ni3+ centers in LaSrAl1-xNixO4; Theoretical investigations on the local structures and the g factors of three Ni3+ centers in LaSrAl1-xNixO4
	S. Y. Wu; X. Y. Gao; J. Z. Lin; Q. Fu
	2006 ; 2006
发表期刊	Journal of Alloys and Compounds ; Journal of Alloys and Compounds
ISSN	0925-8388 ; 0925-8388
卷号	424 期号:1-2 页码:55-59
摘要	The local structures and the EPR g factors of three Ni3+ centers (1)-(3) in LaSrAl1-xNixO4 (LSAN) are theoretically investigated from the perturbation formulas of the g factors for a 3d(7) ion of low spin (S = 1/2) in tetragonally and orthorhombically distorted octahedra. In these formulas, the contributions to the g factors from the low symmetrical parts of the crystal-fields, characterized by the crystal-field parameters D-s, D-t, D-xi and D-eta are taken into account. Based on the studies, it is found that the ligand octahedra are elongated along [0 0 1] axis by about 0.9, 0.7 and 1.0% for centers (1)-(3). The above distortions have a Jahn-Teller nature instead of ordinary lattice deformation, leading to the ligand octahedra less elongated than that (approximate to 1.3%) in the host. Apart from the axial elongation, center (3) suffers additional orthorhombic distortion due to inequivalent variation by about +/- 0.3% of the planar bonding lengths along [10 0] and [0 101 axes, respectively. The calculated g factors show good agreement with the observed values. (c) 2006 Elsevier B.V. All rights reserved.; The local structures and the EPR g factors of three Ni3+ centers (1)-(3) in LaSrAl1-xNixO4 (LSAN) are theoretically investigated from the perturbation formulas of the g factors for a 3d(7) ion of low spin (S = 1/2) in tetragonally and orthorhombically distorted octahedra. In these formulas, the contributions to the g factors from the low symmetrical parts of the crystal-fields, characterized by the crystal-field parameters D-s, D-t, D-xi and D-eta are taken into account. Based on the studies, it is found that the ligand octahedra are elongated along [0 0 1] axis by about 0.9, 0.7 and 1.0% for centers (1)-(3). The above distortions have a Jahn-Teller nature instead of ordinary lattice deformation, leading to the ligand octahedra less elongated than that (approximate to 1.3%) in the host. Apart from the axial elongation, center (3) suffers additional orthorhombic distortion due to inequivalent variation by about +/- 0.3% of the planar bonding lengths along [10 0] and [0 101 axes, respectively. The calculated g factors show good agreement with the observed values. (c) 2006 Elsevier B.V. All rights reserved.
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;wushaoyi@netease.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;wushaoyi@netease.com
关键词	Defect Structures Defect Structures Electron Paramagnetic Resonance Electron Paramagnetic Resonance Crystal-fields And Crystal-fields And Spin Hamiltonians Spin Hamiltonians Ni3++ Ni3++ Lasral1-xnixo4 (Lsan) Lasral1-xnixo4 (Lsan) Transition-metal Ions Transition-metal Ions Optical-spectra Optical-spectra Brillouin-scattering Brillouin-scattering Superposition Model Superposition Model Single-crystals Single-crystals Cr3++ Ions Cr3++ Ions Srlaalo4 Srlaalo4 Vacancy Vacancy Epr Epr
URL	查看原文 ; 查看原文
WOS记录号	WOS:000241414900013 ; WOS:000241414900013
引用统计	被引频次：13[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/321006/34580
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. Y. Wu,X. Y. Gao,J. Z. Lin,et al. Theoretical investigations on the local structures and the g factors of three Ni3+ centers in LaSrAl1-xNixO4, Theoretical investigations on the local structures and the g factors of three Ni3+ centers in LaSrAl1-xNixO4[J]. Journal of Alloys and Compounds, Journal of Alloys and Compounds,2006, 2006,424, 424(1-2):55-59, 55-59.
APA	S. Y. Wu,X. Y. Gao,J. Z. Lin,&Q. Fu.(2006).Theoretical investigations on the local structures and the g factors of three Ni3+ centers in LaSrAl1-xNixO4.Journal of Alloys and Compounds,424(1-2),55-59.
MLA	S. Y. Wu,et al."Theoretical investigations on the local structures and the g factors of three Ni3+ centers in LaSrAl1-xNixO4".Journal of Alloys and Compounds 424.1-2(2006):55-59.