Investigations on the impurity displacements and the g factors of the two tetragonal Ni3+ centres in SrTiO3

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	Investigations on the impurity displacements and the g factors of the two tetragonal Ni3+ centres in SrTiO3
	S. Y. Wu; J. Z. Lin; Q. Fu; H. M. Zhang
	2007
发表期刊	Physica Scripta
ISSN	0031-8949
卷号	75 期号:2 页码:147-151
摘要	The impurity displacements and the g factors g(parallel to) and g(perpendicular to) of the two tetragonal Ni3+ centres (I and II) in SrTiO3 are theoretically investigated by using the perturbation formulae of the g factors for a 3d(7) ion with low spin (S = 1/2) in tetragonally distorted octahedra. In these formulae, the contributions to the g factors from the tetragonal distortion, the ligand spin - orbit coupling coefficient, and the ligand orbitals, which were usually neglected in previous studies (Muller K A et al 1969 Phys. Rev. B 186 361; Lacroix R et al 1964 Helv. Phys. Acta 37 627), are taken into account based on the cluster approach. Centre I ( or II) was ascribed to the substitutional Ni3+ at the Ti4+ site, associated with the nearest neighbour oxygen vacancy V-O (or the near neutral V-O -(- 2e)) along the C-4 axis as a compensator. The impurity Ni3+ is found to shift away from ( or towards) the compensator by about 0.033 nm ( or 0.010 nm) along the C-4 axis, respectively. As a result, the ligand octahedron around the impurity is elongated ( compressed) in centre I ( II), corresponding to the negative ( positive) anisotropy Delta g (= g(parallel to) - g(perpendicular to)). The theoretical g factors based on the above impurity displacements show good agreement 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	Atomic Screening Constants Transition-metal Ions Paramagnetic-resonance Buffer Layers Seed Layers Superposition Model Optical Spectra Scf Functions Thin-films Cr3++ Ions
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WOS记录号	WOS:000243928200005
引用统计	被引频次：11[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/321006/33914
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. Y. Wu,J. Z. Lin,Q. Fu,et al. Investigations on the impurity displacements and the g factors of the two tetragonal Ni3+ centres in SrTiO3[J]. Physica Scripta,2007,75(2):147-151.
APA	S. Y. Wu,J. Z. Lin,Q. Fu,&H. M. Zhang.(2007).Investigations on the impurity displacements and the g factors of the two tetragonal Ni3+ centres in SrTiO3.Physica Scripta,75(2),147-151.
MLA	S. Y. Wu,et al."Investigations on the impurity displacements and the g factors of the two tetragonal Ni3+ centres in SrTiO3".Physica Scripta 75.2(2007):147-151.