Heavy Doping and Band Engineering by Potassium to Improve the Thermoelectric Figure of Merit in p-Type PbTe, PbSe, and PbTe[subscript 1– y]Se[subscript y]

Abstract

We present detailed studies of potassium doping in PbTe[subscript 1– y]Se[subscript y] (y = 0, 0.15, 0.25, 0.75, 0.85, 0.95, and 1). It was found that Se increases the doping concentration of K in PbTe as a result of the balance of electronegativity and also lowers the lattice thermal conductivity because of the increased number of point defects. Tuning the composition and carrier concentration to increase the density of states around the Fermi level results in higher Seebeck coefficients for the two valence bands of PbTe[subscript 1– y]Se[subscript y]. Peak thermoelectric figure of merit (ZT) values of 1.6 and 1.7 were obtained for Te-rich K[subscript 0.02]Pb[subscript 0.98]Te[subscript 0.75]Se[subscript 0.25] at 773 K and Se-rich K[subscript 0.02]Pb[subscript 0.98]Te[subscript 0.15]Se[subscript 0.85] at 873 K, respectively. However, the average ZT was higher in Te-rich compositions than in Se-rich compositions, with the best found in K[subscript 0.02]Pb[subscript 0.98]Te[subscript 0.75]Se[subscript 0.25]. Such a result is due to the improved electron transport afforded by heavy K doping with the assistance of Se.