Sign changes of the thermoelectric transport coefficient across the metal-insulator crossover in the doped Fermi Hubbard model

Abstract

We investigate the doping-dependence of the Seebeck coefficient, as calculated from the Kelvin formula, for the Fermi Hubbard model using determinantal quantum Monte Carlo simulations. Our key findings are: (1) Besides the expected hole to electron-like behavior change around half filling, we show that the additional sign change at an electronic density $n_s$ (and correspondingly a hole density $p_s$) is controlled by the opening of a charge gap in the thermodynamic density of states or compressibility and not by the pseudogap scale in the single particle density of states. (2) We find that $n_s(T,U)$ depends strongly on the interaction $U$ and shows an unusual non-monotonic dependence on temperature with a maximum at a temperature $T\approx t$, on the order of the hopping scale. (3) We identify local moment formation close to half filling as the main driver for the anomalous behavior of the thermoelectric transport coefficient.