Thermoelectric properties of SnSe (Pnma) under hydrostatic pressure

The effect of the hydrostatic pressures on the thermoelectrical properties of SnSe in the Pnma phase is studied using the density functional theory (DFT). The Seebeck coefficient, the electrical conductivity, the electronic and lattice thermal conductivities, the power factor and the figure of merit are investigated. For zero pressure the calculations are consistent with the experimental results reported in the literature. It is observed that an external pressure reduces the efficiency of SnSe in Pnma phase to convert thermal to electrical energy.