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000835946 1001_ $$0P:(DE-Juel1)144464$$aZhang, Guoren$$b0$$ufzj
000835946 245__ $$aMott transition, spin-orbit effects, and magnetism in Ca$_{2}$ RuO$_{4}$
000835946 260__ $$aWoodbury, NY$$bInst.$$c2017
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000835946 520__ $$aIn this work, we study the effects of spin-orbit and Coulomb anisotropy on the electronic and magnetic properties of the Mott insulator Ca$_{2}$ RuO$_{4}$. We use the local-density approximation + dynamical mean-field approach and spin-wave theory. We show that, contrary to a recent proposal, the Mott metal-insulator transition is not induced by the spin-orbit interaction. We confirm that, instead, it is mainly driven by the change in structure from long to short c-axis layered perovskite. We show that the magnetic ordering and the anisotropic Coulomb interactions play a small role in determining the the size of the gap. The spin-orbit interaction turns out to be essential for describing the magnetic properties. It not only results in a spin-wave gap, but it also enlarges significantly the magnon bandwidth.
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000835946 536__ $$0G:(DE-Juel1)jiff41_20091101$$aMultiplet effects in strongly correlated materials (jiff41_20091101)$$cjiff41_20091101$$fMultiplet effects in strongly correlated materials$$x2
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000835946 7001_ $$0P:(DE-Juel1)130881$$aPavarini, Eva$$b1$$eCorresponding author$$ufzj
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