Thermoelectric transport properties of PbS and its contrasting electronic band structures

Abstract In this work we investigated the thermoelectric transport behaviors of p-type PbS and n-type PbS with an emphasis on its contrasting electronic band structures. We found that the Seebeck coefficients of p-type PbS increased faster with rising temperature than that of n-type PbS with the same carrier concentration. The Density functional theory (DFT) calculation of the energy band structure of PbS as a function of temperature illustrates a significant contribution from multiple valence bands in K-doped p-type PbS. This work revealed one important information that manipulating electronic bands is also suitable in developing high-performance PbS thermoelectric systems.