%0 Journal Article
%A Zhang, Guoren
%A Pavarini, Eva
%T Mott transition, spin-orbit effects, and magnetism in Ca$_{2}$ RuO$_{4}$
%J Physical review / B
%V 95
%N 7
%@ 2469-9950
%C Woodbury, NY
%I Inst.
%M FZJ-2017-05078
%P 075145
%D 2017
%X In 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.
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000394659700005
%R 10.1103/PhysRevB.95.075145
%U https://juser.fz-juelich.de/record/835946