Abstract:We report an ab-initio study of the stability and electronic properties of transition metal silicides in order to study their potential for high temperature thermoelectric applications. We focus on the family M 5 Si 3 (M = Ta, W) which is stable up to about 2000 °C. We first investigate the structural stability of the two compounds and then determine the thermopower of the equilibrium structure using the electronic density of states and Mott's law. We find that W 5 Si 3 has a relatively large thermopower but p… Show more
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