| Literature DB >> 22243172 |
Cyril Martins1, Markus Aichhorn, Loïg Vaugier, Silke Biermann.
Abstract
We discuss the notions of spin-orbital polarization and ordering in paramagnetic materials, and address their consequences in transition-metal oxides. Extending the combined density functional and dynamical mean field theory scheme to the case of materials with large spin-orbit interactions, we investigate the electronic excitations of the paramagnetic phases of Sr(2)IrO(4) and Sr(2)RhO(4). We show that the interplay of spin-orbit interactions, structural distortions and Coulomb interactions suppresses spin-orbital fluctuations. As a result, the room temperature phase of Sr(2)IrO(4) is a paramagnetic spin-orbitally ordered Mott insulator. In Sr(2)RhO(4), the effective spin-orbital degeneracy is reduced, but the material remains metallic, due to both, smaller spin-orbit and smaller Coulomb interactions. The corresponding spectra are in excellent agreement with photoemission data. Finally, we make predictions for the spectra of paramagnetic Sr(2)IrO(4).Entities:
Year: 2011 PMID: 22243172 DOI: 10.1103/PhysRevLett.107.266404
Source DB: PubMed Journal: Phys Rev Lett ISSN: 0031-9007 Impact factor: 9.161