Thermoelectric properties of ${\beta}$-FeSi$_{\text2}$

TL;DR

This study uses first principles calculations to analyze the thermoelectric properties of ${eta}$-FeSi$_{ ext2}$, revealing high thermopower in both doping types and identifying optimal doping levels for enhanced performance.

Contribution

The paper provides the first detailed theoretical analysis of ${eta}$-FeSi$_{ ext2}$'s thermoelectric properties using electronic structure and transport calculations.

Findings

High thermopower for both p- and n-type ${eta}$-FeSi$_{ ext2}$

n-type performance exceeds p-type across carrier concentrations

Optimal doping levels identified for maximum thermoelectric efficiency

Abstract

We investigate the thermoelectric properties of ${\beta}$-FeSi$_{\text2}$ using first principles electronic structure and Boltzmann transport calculations. We report a high thermopower for both \textit{p}- and \textit{n}-type ${\beta}$-FeSi$_{\text2}$ 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$\times10{^{20}}$ - 2$\times10{^{21}}$ cm${^{-3}}$ may optimize the thermoelectric performance.