Thermoelectric properties of $\beta$-FeSi${}_{\text{2}}$

We investigate the thermoelectric properties of $\beta$-FeSi${}_{\text{2}}$ using first principles electronic structure and Boltzmann transport calculations. We report a high thermopower for both $\mathit{\text{p}}$- and $\mathit{\text{n}}$-type $\beta$-FeSi${}_{\text{2}}$ over a wide range of carrier concentration and in addition find the performance for $\mathit{\text{n}}$-type to be higher than for the $\mathit{\text{p}}$-type. Our results indicate that, depending upon temperature, a doping level of 3$\times 10{}^{20}$ - 2$\times 10{}^{21}$ cm${}^{-3}$ may optimize the thermoelectric performance.