考虑强四次谐波后全赫斯勒化合物 Li2Rb(Cs)Bi 的超低晶格热导率比较

IF 2.7 3区物理与天体物理 Q2 PHYSICS, APPLIED

Journal of Applied Physics Pub Date : 2024-09-09 DOI:10.1063/5.0219749

Qian Guo, Yinchang Zhao, Yuming Sun, Jun Ni, Zhenhong Dai

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引用次数: 0

摘要

本文对 Li2Rb(Cs)Bi 的热传输和热电性能进行了详细研究，并分析了考虑非谐波性引起的光学声子频移。我们主要研究了两种材料晶格热导率（κL）差异的微观机制。通过计算群速度、散射率、散射相空间和散射子过程，我们得出结论：κL 主要由声学分支主导。研究结果表明，在 T = 900 K 时，n 型 Li2CsBi 的 ZT 值较高，约为 2.1；而在相同温度下，p 型 Li2RbBi 的 ZT 值较高，约为 1.5。这些结果为 Li2Rb(Cs)Bi 在热电转换领域的应用提供了重要的理论依据。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Comparison of ultra-low lattice thermal conductivity of the full-Heusler compound Li2Rb(Cs)Bi after considering strong quartic anharmonicity

This paper conducts a detailed study on the thermal transport and thermoelectric properties of Li2Rb(Cs)Bi and analyzes the optical phonon frequency shift caused by considering anharmonicity. We mainly focus on studying the microscopic mechanism of the difference in lattice thermal conductivity (κL) of the two materials. By calculating the group velocity, scattering rate, scattering phase space and scattering sub-process, it is concluded that κL is mainly dominated by the acoustic branch. Due to its small group velocity and large scattering rate, Li2CsBi has a low κL, which is 0.60 W m−1K−1 at 300 K. Research results show that n-type Li2CsBi has a higher ZT value of about 2.1 at T = 900 K, while p-type Li2RbBi has a higher ZT value of about 1.5 at the same temperature. These results provide an important theoretical basis for the application of Li2Rb(Cs)Bi in the field of thermoelectric conversion.

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来源期刊

Journal of Applied Physics 物理-物理：应用

CiteScore

5.40

自引率

9.40%

发文量

1534

审稿时长

2.3 months

期刊介绍： The Journal of Applied Physics (JAP) is an influential international journal publishing significant new experimental and theoretical results of applied physics research. Topics covered in JAP are diverse and reflect the most current applied physics research, including: Dielectrics, ferroelectrics, and multiferroics- Electrical discharges, plasmas, and plasma-surface interactions- Emerging, interdisciplinary, and other fields of applied physics- Magnetism, spintronics, and superconductivity- Organic-Inorganic systems, including organic electronics- Photonics, plasmonics, photovoltaics, lasers, optical materials, and phenomena- Physics of devices and sensors- Physics of materials, including electrical, thermal, mechanical and other properties- Physics of matter under extreme conditions- Physics of nanoscale and low-dimensional systems, including atomic and quantum phenomena- Physics of semiconductors- Soft matter, fluids, and biophysics- Thin films, interfaces, and surfaces