Interplay between orbital ordering and lattice distortions in LaMnO3, YVO3, and YTiO3

作者: T. Mizokawa , D. I. Khomskii , G. A. Sawatzky

DOI: 10.1103/PHYSREVB.60.7309

关键词: Condensed matter physicsPhysicsLattice (order)Neutron diffraction

摘要: We have studied the interplay between orbital ordering, Jahn-Teller and ${\mathrm{GdFeO}}_{3}$-type lattice distortions in perovskite-type transition-metal oxides using model Hartree-Fock calculations. It has been found that covalency A-site cations oxygens causes interaction distortions. The present calculations explain why d-type distortion ordering compatible with it are realized ${\mathrm{LaMnO}}_{3},$ ${\mathrm{YVO}}_{3},$ ${\mathrm{YTiO}}_{3}.$

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