TY  - JOUR
AU  - Zhang, Guoren
AU  - Pavarini, Eva
TI  - Mott transition, spin-orbit effects, and magnetism in Ca$_{2}$ RuO$_{4}$
JO  - Physical review / B
VL  - 95
IS  - 7
SN  - 2469-9950
CY  - Woodbury, NY
PB  - Inst.
M1  - FZJ-2017-05078
SP  - 075145
PY  - 2017
AB  - 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.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000394659700005
DO  - DOI:10.1103/PhysRevB.95.075145
UR  - https://juser.fz-juelich.de/record/835946
ER  -