4.6 Article

Mott transition and magnetic anisotropy in Ca3Ru2O7

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PHYSICAL REVIEW B
卷 84, 期 23, 页码 -

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.84.235137

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The puzzling nature of the Mott transition in Ca3Ru2O7 is investigated by using the density-functional calculations including the spin-orbit coupling and Coulomb repulsion. We find that the Mott transition in Ca3Ru2O7 has an inherent relationship with its strong anisotropic magnetic properties. When the magnetic moments are aligned along the b axis, the band structure indicates an insulating phase with a narrow band gap. On the other hand, the compound is found to be a rather good metal when the magnetic moments are aligned along the a or c axis. Our finding is consistent with the experimental observed spin reorientation at T-MI.

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