Enhancement in the thermoelectric performance of half-Heusler alloy LiScGe under hydrostatic pressure

We explore the effect of hydrostatic pressure on the transport properties of LiScGe half-Heusler compound upto 50 GPa using the Density functional theory oDFTTHORN and the semi-classical Boltzmann transport theory. Our results show that for n-type doping, thermoelectric performance of LiScGe decreases with increase in pressure. However, for p-type material thermoelectric performance decreases upto 10 GPa, and then it increases with increase in pressure. (C) 2019 Elsevier B.V. All rights reserved.