Theoretical Investigations on the Anomaly of the g Factors and Local Structure for LaCuO3-delta

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	Theoretical Investigations on the Anomaly of the g Factors and Local Structure for LaCuO3-delta
	M. Q. Kuang; S. Y. Wu; B. T. Song; X. F. Hu
	2012
发表期刊	Journal of Superconductivity and Novel Magnetism
ISSN	1557-1939
卷号	25 期号:7 页码:2489-2493
摘要	The anomaly of the g factors and local structure for LaCuO3-delta are theoretically investigated from the perturbation formulas of the g factors for a 3d (9) ion in tetragonally distorted tetrahedra based on the cluster approach including the ligand contributions. The anomaly (g (ayen)> 2 > g (aSyen)) of the g factors is ascribed to the paramagnetic Cu2+ (originating from the host diamagnetic Cu3+ capturing one electron under oxygen deficiency) in a tetragonally elongated tetrahedron. The tetragonal distortion angle is found to be about 3.56A degrees (i.e., the Cu2+-O2- bond angle related to the C-4 axis is 3.56A degrees smaller than that (a parts per thousand 54.74A degrees) of a regular tetrahedron) due to the Jahn-Teller effect. The coordination number decreases from the original six for the host octahedral Cu3+ in LaCuO3-delta to four for the tetrahedral impurity Cu2+ in LaCuO3-delta arising from incomplete Cu2+-O2- bonding due to oxygen deficiency and some Cu2+ locating in the surface of the sample.
部门归属	[kuang, m. q.; wu, s. y.; song, b. t.; hu, x. f.] univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. [wu, s. y.] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;kuang, mq (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china.;mqkuang@yeah.net
关键词	Electronparamagnetic Resonance (Epr) Defect Structure Cu2++ Crystal-fields And Spin Hamiltonians Lacuo3-delta Electron-paramagnetic-resonance Atomic Screening Constants Fe-57 Mossbauer Probe Epr Parameters Scf Functions Cu2++ Ions Doped Cds Perovskite Crystals Copper
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文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/60036
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	M. Q. Kuang,S. Y. Wu,B. T. Song,et al. Theoretical Investigations on the Anomaly of the g Factors and Local Structure for LaCuO3-delta[J]. Journal of Superconductivity and Novel Magnetism,2012,25(7):2489-2493.
APA	M. Q. Kuang,S. Y. Wu,B. T. Song,&X. F. Hu.(2012).Theoretical Investigations on the Anomaly of the g Factors and Local Structure for LaCuO3-delta.Journal of Superconductivity and Novel Magnetism,25(7),2489-2493.
MLA	M. Q. Kuang,et al."Theoretical Investigations on the Anomaly of the g Factors and Local Structure for LaCuO3-delta".Journal of Superconductivity and Novel Magnetism 25.7(2012):2489-2493.