Electronic structure and assessment of thermoelectric performance of TiCoSb

First principles band structure calculations coupled with the Boltzmann transport theory are used to study the thermoelectric properties in TiCoSb under pressure. The density of states and band structure were studied in detail. The thermoelectric power, electrical conductivity and electronic thermal conductivity were analysed using the Boltzmann transport equation with the assumption of the constant relaxation time approximation and the rigid band model. The enhancement of the thermoelectric properties of TiCoSb by adjusting pressure is predicted.