### Abstract

Ca_{2-x}Sr_{x}RuO_{4} 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 d-d 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 RuO_{6} octahedron. The calculated result is consistent with the electronic phase diagram of Ca_{2-x}Sr_{x}RuO_{4}.

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

Article number | 024434 |

Pages (from-to) | 244341-244344 |

Number of pages | 4 |

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

Volume | 66 |

Issue number | 2 |

Publication status | Published - 2002 Jul 1 |

Externally published | Yes |

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### ASJC Scopus subject areas

- Condensed Matter Physics

### Cite this

_{2-x}Sr

_{x}RuO

_{4}studied by model Hartree-Fock calculations.

*Physical Review B - Condensed Matter and Materials Physics*,

*66*(2), 244341-244344. [024434].

**Orbital state and metal-insulator transition in Ca _{2-x}Sr_{x}RuO_{4} studied by model Hartree-Fock calculations.** / Kurokawa, M.; Mizokawa, Takashi.

Research output: Contribution to journal › Article

_{2-x}Sr

_{x}RuO

_{4}studied by model Hartree-Fock calculations',

*Physical Review B - Condensed Matter and Materials Physics*, vol. 66, no. 2, 024434, pp. 244341-244344.

_{2-x}Sr

_{x}RuO

_{4}studied by model Hartree-Fock calculations. Physical Review B - Condensed Matter and Materials Physics. 2002 Jul 1;66(2):244341-244344. 024434.

}

TY - JOUR

T1 - Orbital state and metal-insulator transition in Ca2-xSrxRuO4 studied by model Hartree-Fock calculations

AU - Kurokawa, M.

AU - Mizokawa, Takashi

PY - 2002/7/1

Y1 - 2002/7/1

N2 - Ca2-xSrxRuO4 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 d-d 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 RuO6 octahedron. The calculated result is consistent with the electronic phase diagram of Ca2-xSrxRuO4.

AB - Ca2-xSrxRuO4 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 d-d 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 RuO6 octahedron. The calculated result is consistent with the electronic phase diagram of Ca2-xSrxRuO4.

UR - http://www.scopus.com/inward/record.url?scp=8844276271&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=8844276271&partnerID=8YFLogxK

M3 - Article

VL - 66

SP - 244341

EP - 244344

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 0163-1829

IS - 2

M1 - 024434

ER -