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Mott transition and magnetic anisotropy in Ca_3Ru_2O_7

机译:Ca_3Ru_2O_7中的Mott跃迁和磁各向异性

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摘要

The puzzling nature of the Mott transition in Ca_3Ru_2O_7 is investigated by using the density-functional calculations including the spin-orbit coupling and Coulomb repulsion. We find that the Mott transition in Ca_3Ru_2O_7 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_(mt).
机译:通过使用密度函数计算,包括自旋轨道耦合和库仑排斥,研究了Ca_3Ru_2O_7中Mott跃迁的令人费解的性质。我们发现,Ca_3Ru_2O_7中的Mott跃迁与其强各向异性磁特性有着固有的关系。当磁矩沿b轴排列时,能带结构表示带隙较窄的绝缘相。另一方面,当磁矩沿a或c轴排列时,发现该化合物是一种相当好的金属。我们的发现与实验观察到的T_(mt)处的自旋重取向一致。

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