Dopants effect on the band structure of PbTe thermoelectric material

Y. Takagiwa*, Y. Pei, G. Pomrehn, G. J. Snyder

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

56 Scopus citations


PbTe is a promising thermoelectric material and its dimensionless figure of merit, zT, can be enhanced by optimizing the band structure near the Fermi level via chemical doping. This letter describes the dopants effect on bandgap, E g, and effective mass, m, for disordered La- and I-doping, based on theoretical calculations. E g increases with increasing La and decreases with increasing I concentration. While m increases upon La-doping, I-doping does not change m noticeably. The calculated results are qualitatively consistent with the experimental results and explain the higher zT, up to 1.4 at 800 K, observed in I-doping PbTe compared to La-doping.

Original languageEnglish (US)
Article number092102
JournalApplied Physics Letters
Issue number9
StatePublished - Aug 27 2012

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)


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