晶格过阻尼诱导准一维KCu7S4织构材料中声子和载流子输运的各向异性解耦

IF 19 1区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Yao Chen, Zizhen Zhou, Bin Zhang, Guang Han, Tian Xie, Sikang Zheng, Xu Lu, Guoyu Wang, Xiaoyuan Zhou
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引用次数: 0

摘要

具有准低维结构的多种无机半导体由于其固有的低晶格热导率而成为很有前途的热电材料。然而,这种材料的导电和导热通常是由相同的优先微观结构取向促进的,阻碍了热电性能的提高。在这里,在垂直于压制方向的多晶准一维KCu7S4中,更高的电导率和更低的晶格热导率(例如,在721 K时为0.48 W m−1 K−1)被证明(沿着一维链具有织构)。基于统一声子输运理论的理论计算表明,类波相干在过阻尼声子输运中起主导作用,进而改变晶格热导率的传统各向异性,这种各向异性源于松散、倾斜的Cu-S三角配位、狭窄的声子带间间距和外在声子缺陷散射的强咔嗒非谐性。最终,声子输运的反常各向异性使最大无因次优值比平行于压制方向增加了约100%。这项工作证明了工程类波相干对电和热输运各向异性解耦的有效性,以开发先进的准一维热电材料。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Lattice Overdamping Induced Anisotropy Decoupling of Phonon and Carrier Transports in Quasi-1D KCu7S4 Textured Materials

Lattice Overdamping Induced Anisotropy Decoupling of Phonon and Carrier Transports in Quasi-1D KCu7S4 Textured Materials
A diversity of inorganic semiconductors with quasi-low-dimensional structures are promising thermoelectrics due to their intrinsically low lattice thermal conductivity. However, electrical and thermal conductions for such materials are commonly facilitated by the same preferential microstructural orientation, hindering the improvement of thermoelectric performance. Herein, higher electrical conductivity yet lower lattice thermal conductivity (e.g., 0.48 W m−1 K−1 at 721 K) is demonstrated in polycrystalline, quasi-1D KCu7S4 along the direction perpendicular to pressing (possessing texturing along the 1D chains). Theoretical calculations based on the unified phonon transport theory reveal that the wave-like coherences play a dominant role in the overdamped phonon transport and in turn alter the conventional anisotropy of lattice thermal conductivity, which originates from the strong rattling anharmonicity of loose, tilted Cu–S triangular coordination, narrow phonon inter-band spacings, and extrinsic phonon-defects scattering. Ultimately, the anomalous anisotropy of phonon transport contributes to ≈100% increase in maximum dimensionless figure of merit compared to that attained in the direction parallel to pressing. This work demonstrates the efficacy of engineering wave-like coherences for anisotropy decoupling of electrical and thermal transports to develop advanced quasi-1D thermoelectric materials.
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来源期刊
Advanced Functional Materials
Advanced Functional Materials 工程技术-材料科学:综合
CiteScore
29.50
自引率
4.20%
发文量
2086
审稿时长
2.1 months
期刊介绍: Firmly established as a top-tier materials science journal, Advanced Functional Materials reports breakthrough research in all aspects of materials science, including nanotechnology, chemistry, physics, and biology every week. Advanced Functional Materials is known for its rapid and fair peer review, quality content, and high impact, making it the first choice of the international materials science community.
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