Cubic AgMnSbTe3Semiconductor with a High Thermoelectric Performance

Yubo Luo, Tian Xu, Zheng Ma, Dan Zhang, Zhongnan Guo, Qinghui Jiang, Junyou Yang*, Qingyu Yan*, Mercouri G. Kanatzidis*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

53 Scopus citations

Abstract

The reaction of MnTe with AgSbTe2 in an equimolar ratio (ATMS) provides a new semiconductor, AgMnSbTe3. AgMnSbTe3 crystallizes in an average rock-salt NaCl structure with Ag, Mn, and Sb cations statistically occupying the Na sites. AgMnSbTe3 is a p-type semiconductor with a narrow optical band gap of ∼0.36 eV. A pair distribution function analysis indicates that local distortions are associated with the location of the Ag atoms in the lattice. Density functional theory calculations suggest a specific electronic band structure with multi-peak valence band maxima prone to energy convergence. In addition, Ag2Te nanograins precipitate at grain boundaries of AgMnSbTe3. The energy offset of the valence band edge between AgMnSbTe3 and Ag2Te is ∼0.05 eV, which implies that Ag2Te precipitates exhibit a negligible effect on the hole transmission. As a result, ATMS exhibits a high power factor of ∼12.2 μW cm-1 K-2 at 823 K, ultralow lattice thermal conductivity of ∼0.34 W m-1 K-1 (823 K), high peak ZT of ∼1.46 at 823 K, and high average ZT of ∼0.87 in the temperature range of 400-823 K.

Original languageEnglish (US)
Pages (from-to)13990-13998
Number of pages9
JournalJournal of the American Chemical Society
Volume143
Issue number34
DOIs
StatePublished - Sep 1 2021

ASJC Scopus subject areas

  • General Chemistry
  • Biochemistry
  • Catalysis
  • Colloid and Surface Chemistry

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