Thermoelectric properties of β{\beta}-FeSi2_{\text2}


We investigate the thermoelectric properties of β{\beta}-FeSi2_{\text2} using first principles electronic structure and Boltzmann transport calculations. We report a high thermopower for both \textit{p}- and \textit{n}-type β{\beta}-FeSi2_{\text2} over a wide range of carrier concentration and in addition find the performance for \textit{n}-type to be higher than for the \textit{p}-type. Our results indicate that, depending upon temperature, a doping level of 3×1020\times10{^{20}} - 2×1021\times10{^{21}} cm3{^{-3}} may optimize the thermoelectric performance

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