由于强电子-声子相互作用，p 型填充方钴矿的晶格热导率显着降低,Journal of Materials Chemistry A

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由于强电子-声子相互作用，p 型填充方钴矿的晶格热导率显着降低
Journal of Materials Chemistry A ( IF 10.7 ) Pub Date : 2022-05-30 , DOI: 10.1039/d2ta02687b
Zhenyu Zhu ₁ , Jinyang Xi _{1,

2} , Jiong Yang _{1,

2}

Affiliation

电子 - 声子相互作用（EPI）已广泛适用于电传输特性。然而，它对晶格热传输的关键影响在过去几年中已经被揭示。最近，人们发现在硅、二维材料等高载流子浓度和低温条件下，EPI可以显着降低晶格热导率；然而，关于热电（TE）材料的讨论却很少。在这项研究中，我们研究了 EPI 对方钴矿 CoSb ₃和 p 型填充 BaFe ₄ Sb ₁₂的晶格热导率的影响。在 300 K 和 10 ²¹ cm ^{-3载流子浓度下，CoSb}₃的晶格热导率分别从 10.7 W m ^-1 K ^-1降低到 7.03 W m ^-1 K ^-1（空穴掺杂，减少 34.3%）和 8.18 W m ^-1 K ^-1（电子掺杂，减少 23.6%），而BaFe ₄ Sb ₁₂从3.24 W m ^-1 K ^-1降低到1.14 W m ^-1 K ^-1 (空穴浓度为5×10 ²¹ cm ^-3 )，降低了64.8%。BaFe ₄ Sb _{12中的显着 EPI 效应}主要是由于态密度（DOS）大和EPI强度强。我们的研究表明，EPI 在填充方钴矿的晶格热导率中起着重要作用，并且可以进一步优化其 TE 性能。

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Significant reduction in lattice thermal conductivity in a p-type filled skutterudite due to strong electron–phonon interactions

Electron–phonon interaction (EPI) has been widely suited in electrical transport properties. Nevertheless, its critical impact on the lattice thermal transport has been revealed in the last few years. Recently, people found that EPI can remarkably reduce the lattice thermal conductivity under a high carrier concentration and low temperature such as in silicon and two-dimensional materials; however, the discussions on thermoelectric (TE) materials are few. In this study, we investigate the EPI effect on the lattice thermal conductivities of skutterudites CoSb₃ and p-type filled BaFe₄Sb₁₂. At 300 K with 10²¹ cm⁻³ carrier concentration, the lattice thermal conductivity of CoSb₃ decreases from 10.7 W m⁻¹ K⁻¹ to 7.03 W m⁻¹ K⁻¹ (hole doping, reduction 34.3%) and 8.18 W m⁻¹ K⁻¹ (electron doping, reduction 23.6%), respectively, while that of BaFe₄Sb₁₂ decreases from 3.24 W m⁻¹ K⁻¹ to 1.14 W m⁻¹ K⁻¹ (5 × 10²¹ cm⁻³ for hole concentration) with a reduction of 64.8%. The significant EPI effect in BaFe₄Sb₁₂ is mainly due to the large density of states (DOS) and strong EPI strength. Our study reveals that EPI plays an important role in the lattice thermal conductivity of filled skutterudites, and it can further optimize their TE performances.

更新日期：2022-05-30

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