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The changes of magnetic properties of the perovskite-type titanium oxides by the structural distortions: In the case of LaTiO3 and YTiO3

Authors

  • Taku Onishi

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    1. Department of Chemistry for Materials, Graduate School of Engineering, Mie University, 1577 Kurimamachiya-Machi, Tsu, Mie 514-8507, Japan
    • Department of Chemistry for Materials, Graduate School of Engineering, Mie University, 1577 Kurimamachiya-Machi, Tsu, Mie 514-8507, Japan
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Abstract

In the perovskite-type titanium oxides, the changes of magnetic properties by GdFeO3-type lattice distortion are observed. In this study, we have performed cluster model calculations based on the density functional theory method, and have obtained the effective exchange integral (Jab) in order to elucidate the magnetic change by the GdFeO3-type lattice distortion. The components of deciding the orbital ordering and magnetic property have also been discussed. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2007

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