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- Title
Theoretical Investigations on the Anomaly of the g Factors and Local Structure for LaCuO.
- Authors
Kuang, M.; Wu, S.; Song, B.; Hu, X.
- Abstract
The anomaly of the g factors and local structure for LaCuO are theoretically investigated from the perturbation formulas of the g factors for a 3 d ion in tetragonally distorted tetrahedra based on the cluster approach including the ligand contributions. The anomaly ( g>2> g) of the g factors is ascribed to the paramagnetic Cu (originating from the host diamagnetic Cu capturing one electron under oxygen deficiency) in a tetragonally elongated tetrahedron. The tetragonal distortion angle is found to be about 3.56° (i.e., the Cu-O bond angle related to the C axis is 3.56° smaller than that (≈54.74°) of a regular tetrahedron) due to the Jahn-Teller effect. The coordination number decreases from the original six for the host octahedral Cu in LaCuO to four for the tetrahedral impurity Cu in LaCuO arising from incomplete Cu-O bonding due to oxygen deficiency and some Cu locating in the surface of the sample.
- Subjects
MAGNETIC properties of copper; TETRAHEDRA; PARAMAGNETISM; QUANTUM perturbations; JAHN-Teller effect; ELECTRONIC structure
- Publication
Journal of Superconductivity & Novel Magnetism, 2012, Vol 25, Issue 7, p2489
- ISSN
1557-1939
- Publication type
Article
- DOI
10.1007/s10948-012-1674-2