Two-band transport model for Thermopower vs. carrier concentration relations of p-type PbTe.
Python script for modelling carrier concentration dependence of Seebeck coeficient in p-type PbTe. Doping PbTe with Na changes the valence band electronic structure by decreasing the band-offset between the L-band and the Sigma-band. These changes in electronic structure increase the Seebeck coefficient at high doping levels (especially when doping is compensated by Te_Pb anti-site defect). The scripts contain models for cases with and without the electronic structure convergence effect. Results are published in Journal of American Chemical Society paper (https://doi.org/10.1021/jacs.0c07067).