Ab Initio Prediction of Large Thermoelectric Effect in Distorted Heusler Alloy Ti-Fe-Sb Compound

Rifky Syariati, Athorn Vora-ud, Fumiyuki Ishii +1

The thermoelectric figure of merit of the Heusler alloy TiFe${}_{1.5}$Sb was investigated by first-principles calculations of lattice thermal conductivity. The electronic thermal con…