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

T. Mizokawa; D. I. Khomskii; G. A. Sawatzky

doi:10.1103/PhysRevB.60.7309

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

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

Research output: Contribution to journal › Article › peer-review

173 Citations (Scopus)

Abstract

We have studied the interplay between orbital ordering, Jahn-Teller and GdFeO₃-type lattice distortions in perovskite-type transition-metal oxides using model Hartree-Fock calculations. It has been found that the covalency between A-site cations and oxygens causes interaction between the Jahn-Teller and GdFeO₃-type distortions. The present calculations explain why the d-type Jahn-Teller distortion and orbital ordering compatible with it are realized in LaMnO₃, YVO₃, and YTiO₃.

Original language	English
Pages (from-to)	7309-7313
Number of pages	5
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	60
Issue number	10
DOIs	https://doi.org/10.1103/PhysRevB.60.7309
Publication status	Published - 1999
Externally published	Yes

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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10.1103/PhysRevB.60.7309

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abstract = "We have studied the interplay between orbital ordering, Jahn-Teller and GdFeO3-type lattice distortions in perovskite-type transition-metal oxides using model Hartree-Fock calculations. It has been found that the covalency between A-site cations and oxygens causes interaction between the Jahn-Teller and GdFeO3-type distortions. The present calculations explain why the d-type Jahn-Teller distortion and orbital ordering compatible with it are realized in LaMnO3, YVO3, and YTiO3.",

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AU - Mizokawa, T.

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AU - Sawatzky, G. A.

PY - 1999

Y1 - 1999

N2 - We have studied the interplay between orbital ordering, Jahn-Teller and GdFeO3-type lattice distortions in perovskite-type transition-metal oxides using model Hartree-Fock calculations. It has been found that the covalency between A-site cations and oxygens causes interaction between the Jahn-Teller and GdFeO3-type distortions. The present calculations explain why the d-type Jahn-Teller distortion and orbital ordering compatible with it are realized in LaMnO3, YVO3, and YTiO3.

AB - We have studied the interplay between orbital ordering, Jahn-Teller and GdFeO3-type lattice distortions in perovskite-type transition-metal oxides using model Hartree-Fock calculations. It has been found that the covalency between A-site cations and oxygens causes interaction between the Jahn-Teller and GdFeO3-type distortions. The present calculations explain why the d-type Jahn-Teller distortion and orbital ordering compatible with it are realized in LaMnO3, YVO3, and YTiO3.

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

Abstract

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