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Abstract

Seebeck coefficient, $S=L_{12}/(TL_{11})$, which is proportional to a ratio of the thermoelectric conductivity $L_{12}$ to the electric conductivity $L_{11}$ with $T$ being temperature is examined for two-dimensional Dirac electrons in a three-quarter filled organic conductor, $\alpha$-(BETS)$_2$I$_3$, [BETS = BEDT-TSeF = bis(ethylenedithio)tetraselenafulvalene] at ambient pressure.Using a tight-binding (TB) model obtained by first-principles relativistic density-functi onal theory method [Eur. Phys. J. B 94, 17 (2021)], we calculate $S$ in the presence of the impurity and electron--phonon (e--p) scatterings. It is shown that $S_x < 0$ and $S_y >0$ at high temperatures, where $S_x$ ($S_y$) denotes $S$ perpendicular (parallel) to the molecular stacking axis. There is a sign change of $S_y$ with increasing $T$. It is found that, at low temperatures the absolute value of $S$ is enhanced by the spin-orbit coupling. The Seebeck coefficient is examined by dividing into components of the conduction and valence bands to find that the electron and hole contributions compete each other. Such $T$ dependence of $S$ is clarified using the spectral conductivity, which determines $L_{12}$ and $L_{11}$.