First principles investigations of the thermoelectric behavior of tin sulfide

We present the results of density functional theory and Boltzmann transport calculations suggesting that the commonly available and inexpensive material SnS may show reasonable thermoelectric performance at temperatures suitable for exhaust waste heat recovery, if the material can be heavily p-doped and if the mobility is not greatly degraded by high doping. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3496661]