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TT: Fachverband Tiefe Temperaturen

TT 6: Postersession Correlated Electrons: (General) Theory, Low-Dimensional Systems, Kondo Physics, Heavy Fermions, Quantum-Critical Phenomena

TT 6.14: Poster

Montag, 23. März 2009, 13:00–16:45, P1A

Calculation of thermoelectric properties by LDA+DMFT — •Philipp Wissgott, Philipp Hansmann, Nico Parragh, Alessandro Toschi, and Karsten Held — Institute of Solid State Physics, Vienna University of Technology, 1040 Vienna, Austria

Strongly correlated electron systems were recently found to show impressive thermoelectric properties. For example the transition metal oxides Na_xCoO₂ [1] and LiRh₂O₄ [2] have a thermopower of almost 100 µV/K. As bandstructure and electronic correlations can play an important role for the thermopower, we investigate these materials with the combination of density functional theory and dynamical mean field theory. Following [3], effects of Na disorder, which lead to stronger correlations, are taken into account by a binary distribution. In comparison to experiment, we present results for the thermopower, the resistivity, and the thermal conductivity at various temperatures.

[1] I. Terasaki, Y. Sasago and K. Uchinokura, Phys. Rev. B 56, R12685 (1997).

[2] Y. Okamoto et al.,Phys. Rev. Lett. 101 086404 (2008).

[3] C.A. Marianetti and G. Kotliar, Phys. Rev. Lett. 98 176405 (2007).