This title appears in the Scientific Report :
2017
Please use the identifier:
http://dx.doi.org/10.1103/PhysRevB.95.075145 in citations.
Please use the identifier: http://hdl.handle.net/2128/14944 in citations.
Mott transition, spin-orbit effects, and magnetism in Ca$_{2}$ RuO$_{4}$
Mott transition, spin-orbit effects, and magnetism in Ca$_{2}$ RuO$_{4}$
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 Mo...
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Personal Name(s): | Zhang, Guoren |
---|---|
Pavarini, Eva (Corresponding author) | |
Contributing Institute: |
JARA - HPC; JARA-HPC Theoretische Nanoelektronik; IAS-3 |
Published in: | Physical Review B Physical review / B, 95 95 (2017 2017) 7 7, S. 075145 075145 |
Imprint: |
Woodbury, NY
Inst.
2017
|
DOI: |
10.1103/PhysRevB.95.075145 |
Document Type: |
Journal Article |
Research Program: |
Multiplet effects in strongly correlated materials Multiplet effects in strongly correlated materials Spin-orbital order-disorder transitions in strongly correlated systems Controlling Collective States |
Link: |
OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/14944 in citations.
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. |