title: Reduced effective spin-orbital degeneracy and spin-orbital ordering in paramagnetic transition-metal oxides: Sr2IrO4 versus Sr2RhO4.
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).
authors.affiliation: Centre de Physique Théorique, Ecole Polytechnique, CNRS, 91128 Palaiseau Cedex, France.
authors.forename: Cyril
authors.initials: C
authors.lastname: Martins
authors.forename: Markus
authors.initials: M
authors.lastname: Aichhorn
authors.forename: Loïg
authors.initials: L
authors.lastname: Vaugier
authors.forename: Silke
authors.initials: S
authors.lastname: Biermann