Rare earth element Pr enables high thermoelectric performance of Cu12Sb4S13

Chen Zhu (), Feng Hu, Lei Jiang, Shouxi Jiang, Kun Ding, Jian Shao, Manman Ding and Fali Chong ()
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Chen Zhu: Xuzhou University of Technology
Feng Hu: Xuzhou University of Technology
Lei Jiang: Xuzhou University of Technology
Shouxi Jiang: Xuzhou University of Technology
Kun Ding: Xuzhou University of Technology
Jian Shao: Xuzhou University of Technology
Manman Ding: Xuzhou University of Technology
Fali Chong: Xuzhou University of Technology

The European Physical Journal B: Condensed Matter and Complex Systems, 2024, vol. 97, issue 6, 1-8

Abstract: Abstract Cu12Sb4S13 has received great attention due to its remarkable thermoelectric properties among medium-temperature range. Herein, the effect of rare earth element Pr substitution at Cu site of Cu12Sb4S13 is comprehensively investigated. Heavy rare earth element Pr substitution can induce strong mass fluctuation and strain-field fluctuation, resulting in intense phonon scattering and decreased lattice thermal conductivity. Consequently, a low lattice thermal conductivity κL of 0.42 W m−1 K−1 is obtained at 748 K in Cu11.7Pr0.3Sb4S13 sample. Additionally, the substitution of Pr for Cu can function as donors, tuning the hole concentration and optimizing the thermopower over the entire temperature range, with a maximum thermopower of 165 μV K−1 at 748 K. Correspondingly, a peak ZT of~0.9 is obtained at 748 K in Cu11.7Pr0.3Sb4S13 sample, due to the significantly reduced thermal conductivity and slightly enhanced power factor. Graphical abstract Perspective of Cu12Sb4S13 crystal structure and the temperature-dependent ZT for Cu12-xPrxSb4S13 samples

Date: 2024
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DOI: 10.1140/epjb/s10051-024-00716-1

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