Radiation effects and defects in solids · 2008 · 11 citations · 1 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsCrystal StructureInorganic ChemistryAb Initio MethodsMagnetic OxidesMagnetic Properties Of SolidsMagnetism In SolidsMagnetism Of Inorganic CompoundsNuclear SpinLocal Electronic StructureLocal StructureNuclear G-factorsTetragonal AxesTetragonal DistortionTetragonal SystemTransition Metal Magnetism
Abstract The electron paramagnetic resonance g factors and the local structure for Ni3+ in LaAl0.9Ni0.1O3 (LAN), La0.75Y0.25Al0.99Ni0.01O3 (LYAN) and YAl0.9Ni0.1O3 (YAN) are theoretically studied from the perturbation formulas of the g factors for a 3d7 ion of low spin (S = 1/2) in tetragonally elongated octahedra. In these formulas, the contributions to the g factors from the tetragonal distortion, characterized by the tetragonal field parameters Ds and Dt are taken into account. According to the calculations, the ligand octahedra around Ni3+ are suggested to suffer 2% relative elongation along the [001] (or C4) axis due to the Jahn-Teller effect. Keywords: defect structureselectron paramagnetic resonancecrystal-fields and spin HamiltoniansNi3+ LaAlO3 LaYAlO3 YAlO3 Acknowledgements This work was supported by the Support Program for Academic Excellence of UESTC.
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