Berlin 2015 – wissenschaftliches Programm
TT 71.59: Poster
Mittwoch, 18. März 2015, 15:00–18:00, Poster B
Influence of doping and quasi-lowdimensionality on the thermoelectric properties of strongly correlated materials — •Raphael Richter1, Lewin Boehnke2, Daniel Grieger3, and Frank Lechermann1 — 11. Institut fur Theoretische Physik, Universität Hamburg, Germany — 2Département de Physique, University of Fribourg, Switzerland — 3International School for Advanced Studies (SISSA), Trieste, Italy
Strongly correlated materials are among the most interesting and com- plicated systems in condensed matter physics. Large Seebeck coefficients are found in some of these compounds, which highlight the possibility for thermoelectric applications.
In this work, we study the thermoelectric properties of such systems by means of the charge self-consistent density functional theory (DFT) plus dynamical mean-field theory (DMFT) scheme, build on a mixed basis pseudopotential framework combined with a continuous time quantum Monte-Carlo solver. By means of this methodology we consider doping effects by constructing pseudopotentials with fractional nuclear charge or within a supercell approach. For the investigation of the thermoelectric response, the (anisotropic) Seebeck tensor is calculated within the Kubo formalism at different temperatures.