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TT: Fachverband Tiefe Temperaturen

TT 43: Correlated Electrons: Metal-Insulator Transition 2

TT 43.3: Vortrag

Mittwoch, 13. März 2013, 15:30–15:45, H19

Correlation effects and spin-orbit interaction in Sr₃Ru₂O₇: LDA+DMFT study — •Evgeny Gorelov, Guoren Zhang, and Eva Pavarini — IAS-3, Forschungszentrum Jülich, 52425 Jülich

The layered ruthenates of the Ruddlesden-Popper family Sr_n+1Ru_nO_3n+1 are interesting examples of strongly correlated transition metal compounds. Due to competing kinetic and Coulomb energies, that are of the same order for Ru 4d electrons, these compounds have very rich phase diagram, including Mott-insulator, ferro- and meta-magnetic phases. Among layered ruthenates the bilayered compound Sr₃Ru₂O₇ is particularly interesting. It is known to be a paramagnetic metal close to ferro-magnetism and exhibits a metamagnetic behavior in external magnetic field. By using the LDA+DMFT (local-density approximation + dynamical mean-field theory) approach, we study magnetic properties and electron mass renormalization due to correlation effects. In our LDA+DMFT scheme we use maximally-localized Wannier orbitals obtained from Linearized Augmented Plane Wave (LAPW) calculations to build a low-energy Hubbard model for the Ru d bands; we use the weak-coupling CT-quantum Monte Carlo method to solve the quantum impurity problem. We take into account the full rotationally-invariant Coulomb interaction, as well as full on-site self-energy matrix in orbital space with spin-orbit coupling.
[1] E. Gorelov, G. Zhang, and E. Pavarini, Correlation effects and spin-orbit coupling in Sr_n+1Ru_nO_3n+1 compounds (in preparation)