### Abstract

(formula presented) is a quasi-two-dimensional Mott transition system. We have studied the relationship between the metal-insulator transition and the changes of orbital states using model Hartree-Fock calculations. As the (formula presented) Coulomb interaction increases, the ground state changes from paramagnetic metal (PM) to antiferromagnetic metal (AFM) to antiferromagnetic insulator (AFI). Magnetic anisotropy is strong in the AFI state due to the spin-orbit interaction while it is weak in the AFM state. It has been found that the magnetic anisotropy is controlled by the Jahn-Teller distortion. We have also investigated the effect of the tilting and rotation of the (formula presented) octahedron. The calculated result is consistent with the electronic phase diagram of (formula presented).

Original language | English |
---|---|

Pages (from-to) | 1-4 |

Number of pages | 4 |

Journal | Physical Review B - Condensed Matter and Materials Physics |

Volume | 66 |

Issue number | 2 |

DOIs | |

Publication status | Published - 2002 Jan 1 |

Externally published | Yes |

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### ASJC Scopus subject areas

- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics

### Cite this

**Orbital state and metal-insulator transition in (formula presented) studied by model Hartree-Fock calculations.** / Kurokawa, M.; Mizokawa, Takashi.

Research output: Contribution to journal › Article

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TY - JOUR

T1 - Orbital state and metal-insulator transition in (formula presented) studied by model Hartree-Fock calculations

AU - Kurokawa, M.

AU - Mizokawa, Takashi

PY - 2002/1/1

Y1 - 2002/1/1

N2 - (formula presented) is a quasi-two-dimensional Mott transition system. We have studied the relationship between the metal-insulator transition and the changes of orbital states using model Hartree-Fock calculations. As the (formula presented) Coulomb interaction increases, the ground state changes from paramagnetic metal (PM) to antiferromagnetic metal (AFM) to antiferromagnetic insulator (AFI). Magnetic anisotropy is strong in the AFI state due to the spin-orbit interaction while it is weak in the AFM state. It has been found that the magnetic anisotropy is controlled by the Jahn-Teller distortion. We have also investigated the effect of the tilting and rotation of the (formula presented) octahedron. The calculated result is consistent with the electronic phase diagram of (formula presented).

AB - (formula presented) is a quasi-two-dimensional Mott transition system. We have studied the relationship between the metal-insulator transition and the changes of orbital states using model Hartree-Fock calculations. As the (formula presented) Coulomb interaction increases, the ground state changes from paramagnetic metal (PM) to antiferromagnetic metal (AFM) to antiferromagnetic insulator (AFI). Magnetic anisotropy is strong in the AFI state due to the spin-orbit interaction while it is weak in the AFM state. It has been found that the magnetic anisotropy is controlled by the Jahn-Teller distortion. We have also investigated the effect of the tilting and rotation of the (formula presented) octahedron. The calculated result is consistent with the electronic phase diagram of (formula presented).

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U2 - 10.1103/PhysRevB.66.024434

DO - 10.1103/PhysRevB.66.024434

M3 - Article

VL - 66

SP - 1

EP - 4

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 0163-1829

IS - 2

ER -