Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles

Thermal conductivity in PbTe from first principles

A. H. Romero,1,2 E. K. U. Gross,2 M. J. Verstraete,3 and Olle Hellman4,5 1Department of Physics, West Virginia University, 207 White Hall, 26506, West Virginia, USA 2Max-Planck-Institute für Mikrostrukturphysik, Weinberg 2, D-06120 Halle, Germany 3Department of Physics and European Theoretical Spectroscopy Facility, Université de Liège, av du 6 août, 17, B-4000 Liège, Belgium 4Department of App...

Phase relations in the system PbS-PbSe-PbTe

Phase relations in the system P b S P b S e P b T e were investigated in the temperature range between 1150 and 300~ There is a complete solid solution series along the join PbS-PbSe, whereas miscibility gaps exist below ~ 350~ and 805~ along joins PbSe-PbTe and PbS-PbTe, respectively. Both gaps extend into the ternary system, and the range of the gap between PbS and PbTe reduces in size with t...

Phonon conduction in PbSe, PbTe, and PbTe1xSex from first-principles calculations

Dataset on the electronic and thermal transport properties of quaternary compounds of (PbTe)0.95−x(PbSe)x(PbS)0.05

The data presented in this article are related to the research article entitled "High thermoelectric performance in pseudo quaternary compounds of (PbTe)0.95-x (PbSe)x(PbS)0.05 by simultaneous band convergence and nano precipitation" (Ginting et al., 2017) [1]. We measured electrical and thermal transport properties such as temperature-dependent Hall carrier density nH , Hall mobility μH , ther...

Intrinsic localized mode and low thermal conductivity of PbSe

Lead chalcogenides such as PbS, PbSe, and PbTe are of interest for their exceptional thermoelectric properties and strongly anharmonic lattice dynamics. Although PbTe has received the most attention, PbSe has a lower thermal conductivity and a nonlinear temperature dependence of thermal resistivity despite being stiffer, trends that prior first-principles calculations have not fully reproduced....