Berlin 2018 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 72: Poster Session: Correlated Electrons
TT 72.76: Poster
Mittwoch, 14. März 2018, 15:00–19:00, Poster B
Interplay of spin-orbit coupling, crystal-field and electronic correlations in ruthenate oxides — •Esmaeel Sarvestani1, Guoren Zhang1, Evgeny Gorelov1,2, and Eva Pavarini1,3 — 1Institute for Advanced Simulation, Forschungszentrum Jülich, Jülich, Germany — 2European XFEL GmbH, Hamburg, Germany — 3JARA High-Performance Computing, RWTH Aachen, Aachen, Gemany
We investigate the effects of spin-orbit (SO) coupling, crystal-field and Coulomb interaction on the electronic properties of the t2g4 layered ruthenates Sr2RuO4 and Sr3Ru2O7. We calculate effective masses, life-times and optical conductivity via the LDA+DMFT approach, using the general implementation of the continuous-time interaction-expansion QMC impurity solver of Refs.[1,2]. We find that the effect of SO coupling on the mass-enhancements depends on the parameter range. We explain this via a two-site t2g Hubbard model. We additionally find that for a realistic description of the optical conductivity, it is important to include the effects of SO interaction. We show that the effects of low-symmetry terms of Coulomb interaction on the total spectral function and in-plane conductivity are small; however, they have a strong effect on the mass-enhancement anisotropy [3].
E. Gorelov et. al., Phys. Rev. Lett. 104, 226401 (2010).
G. Zhang et. al., Phys. Rev. Lett. 116, 106402 (2016).
E. Sarvestani et. al., submitted to Phys. Rev. B.