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Title: Cubic AgMnSbTe₃ semiconductor with a high thermoelectric performance
Authors: Luo, Yubo
Xu, Tian
Ma, Zheng
Zhang, Dan
Guo, Zhongnan
Jiang, Qinghui
Yang, Junyou
Yan, Qingyu
Kanatzidis, Mercouri G.
Keywords: Engineering::Materials::Functional materials
Issue Date: 2021
Source: Luo, Y., Xu, T., Ma, Z., Zhang, D., Guo, Z., Jiang, Q., Yang, J., Yan, Q. & Kanatzidis, M. G. (2021). Cubic AgMnSbTe₃ semiconductor with a high thermoelectric performance. Journal of the American Chemical Society, 143(34), 13990-13998.
Project: MOE 2018-T2-1-010 
SERC 1527200022 
Journal: Journal of the American Chemical Society 
Abstract: The reaction of MnTe with AgSbTe2 in an equimolar ratio (ATMS) provides a new semiconductor, AgMnSbTe3. AgMnSbTe3 crys-tallizes 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 band gap of ~0.33 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 valance 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 μWcm-1K-2 at 823 K, ultralow lattice thermal conductivity of ~0.34 Wm-1K-1 (823 K), high peak ZT of ~1.46 at 823 K, and high av-erage ZT of ~0.87 in the temperature range of 400–823 K
ISSN: 0002-7863
DOI: 10.1021/jacs.1c07522
Schools: School of Materials Science and Engineering 
Rights: This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of the American Chemical Society, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:MSE Journal Articles

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