Journal
PHYSICAL REVIEW B
Volume 95, Issue 7, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.95.075145
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Funding
- Deutsche Forschungsgemeinschaft [FOR1346]
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In this work, we study the effects of spin-orbit and Coulomb anisotropy on the electronic and magnetic properties of the Mott insulator Ca2RuO4. We use the local-density approximation + dynamical mean-field approach and spin-wave theory. We show that, contrary to a recent proposal, the Mott metal-insulator transition is not induced by the spin-orbit interaction. We confirm that, instead, it is mainly driven by the change in structure from long to short c-axis layered perovskite. We show that the magnetic ordering and the anisotropic Coulomb interactions play a small role in determining the the size of the gap. The spin-orbit interaction turns out to be essential for describing the magnetic properties. It not only results in a spin-wave gap, but it also enlarges significantly the magnon
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