The thermopower of PbTe as a function of temperature and doping level is reported based on Boltzmann transport calculations using the first principles relativistic electronic structure as obtained with the Engel-Vosko generalized gradient approximation. The results are discussed in relation to experimental data. For $p$-type material there is an enhancement at high-doping levels due to the onset of an increased density of states starting $\sim 0.2\text{eV}$ below the valence band edge. This leads to agreement between the calculated thermopower and recent results on PbTe with heavy Tl doping.

• Received 26 April 2010

DOI:https://doi.org/10.1103/PhysRevB.81.195217