Rare earth element Pr enables high thermoelectric performance of Cu12Sb4S13

IF 1.6 4区物理与天体物理 Q3 PHYSICS, CONDENSED MATTER

The European Physical Journal B Pub Date : 2024-06-21 DOI:10.1140/epjb/s10051-024-00716-1

Chen Zhu, Feng Hu, Lei Jiang, Shouxi Jiang, Kun Ding, Jian Shao, Manman Ding, Fali Chong

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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 κ_L of 0.42 W m⁻¹ K⁻¹ is obtained at 748 K in Cu_11.7Pr_0.3Sb₄S₁₃ 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 Cu_11.7Pr_0.3Sb₄S₁₃ 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 Cu_12-xPr_xSb₄S₁₃ samples

Abstract Image

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稀土元素 Pr 实现了 Cu12Sb4S13 的高热电性能

Cu12Sb4S13 因其在中温范围内的显著热电性能而备受关注。本文全面研究了稀土元素 Pr 在 Cu12Sb4S13 的 Cu 位点上的取代效应。重稀土元素 Pr 取代会引起强烈的质量波动和应变场波动，导致强烈的声子散射和晶格热导率降低。因此，Cu11.7Pr0.3Sb4S13 样品在 748 K 时的晶格热导率κL 低至 0.42 W m-1 K-1。此外，用 Pr 替代 Cu 可作为供体，在整个温度范围内调节空穴浓度并优化热功率，在 748 K 时的最大热功率为 165 μV K-1。相应地，由于热导率显著降低和功率因数略有提高，Cu11.7Pr0.3Sb4S13 样品在 748 K 时的 ZT 峰值为~0.9。

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