2022
DOI: 10.1021/acs.chemmater.2c02344
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High Thermoelectric Performance and Low Lattice Thermal Conductivity in Lattice-Distorted High-Entropy Semiconductors AgMnSn1–xPbxSbTe4

Abstract: We investigate the structure and thermoelectric properties of a new high-entropy solid solution system AgMnSn1–x Pb x SbTe4 (x = 0, 0.25, 0.5, 0.75, and 1), which crystallizes in the rock-salt NaCl structure with cations Ag, Mn, Sn, Pb, and Sb randomly disordered over the Na site. Our density functional theory calculations indicate that AgMnSn1–x Pb x SbTe4 exhibits complex multi-peak valence band structures, whose energy difference is lower than 0.11 eV, leading to effective band convergence and thus high den… Show more

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Cited by 20 publications
(14 citation statements)
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“…4C). The V a values are lower than that of SnTe, 8 GeTe, 52 PbSe, 53 PbTe 54 and CuGaTe 2 . 55 It is acknowledged that low V a often results in low κ L .…”
Section: Resultsmentioning
confidence: 66%
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“…4C). The V a values are lower than that of SnTe, 8 GeTe, 52 PbSe, 53 PbTe 54 and CuGaTe 2 . 55 It is acknowledged that low V a often results in low κ L .…”
Section: Resultsmentioning
confidence: 66%
“…The reason for the m* increasing with the increase in x may be the change of the electron band structure caused by the increase in congurational entropy. 8,21,47 The Fourier transform infrared spectroscopy results show that alloying of MnSe can increase the band gap of AgSbSe 2 . For example, the optical band gap value increases from 0.36 eV for x = 0 to 0.48 eV for x = 0.3 (Fig.…”
Section: Resultsmentioning
confidence: 99%
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“…The 𝜅 L of all the samples decreases with increasing temperature, approximately following the relationship of T −1 , which implies the reduction mainly sources from the U-process phonon-phonon scattering. [47] After analog CuInSe 2 alloying, the 𝜅 L significantly declines. Specifically, the 𝜅 L are 0.60, 0.39, [19][20][21][22][23]25,26,28] with respect to hole concentration; d) the electronic band of Cu 0.40, 0.38, and 0.37 W m −1 K −1 at 773 K for x = 0, 3, 6, 9, and 12, respectively, a drop of 38% at most.…”
Section: Thermoelectric Performance Ofmentioning
confidence: 99%