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TT: Fachverband Tiefe Temperaturen

TT 100: Correlated Electrons: Other Materials

TT 100.2: Vortrag

Donnerstag, 19. März 2015, 15:15–15:30, H 3005

LDA+DMFT calculation of optical conductivity of layered ruthenates — •Esmaeel Sarvestani, Guoren Zhang, Evgeny Gorelov, and Eva Pavarini — Institute for Advanced Simulation, Forschungszentrum Juelich, D-52425 Juelich, Germany

Motivated by recent precise measurements of optical conductivity of correlated metals, we have used the LDA+DMFT method to calculate the optical spectra of paradigmatic correlated metals, strontium ruthenate oxides. The optical conductivity calculation is performed via linear response theory and Kubo’s formalism.
For single layer ruthenate oxide, calculations are done for various temperatures. The effects of spin-orbit coupling on the optical spectra are studied. Two sets of interaction parameters, Hubbard U and Hund*s coupling J, which are commonly employed for these systems, have been used. It is shown that for smaller value of interaction, spin-orbit coupling does not change the spectra very much. For larger value of interaction, only if spin-orbit coupling is taken into account, the main features of experimental spectra are reproduced.
By means of numerical analysis, the role of spin-orbit coupling in optical conductivity is traced back to specific elements of the self-energy matrix and single particle spectral functions.
Finally, results of conductivity for double layer ruthenate are also pre- sented.