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    Phonon thermal transport in ferroelectric and antiferroelectric bilayer SnSe

    Yongwei Tang (汤用伟)1, Pan Zhang (张攀)2,*, Wenjin Li (李文进)1, Yuhao Li (李宇昊)1, Shiheng Liang (梁世恒)2,†, Zhihong Lu (卢志红)3, Ziyang Yu (余子洋)1,‡, and Rui Xiong (熊锐)4

    • 1Hubei Key Laboratory of Optical Information and Pattern Recognition, School of Optical Information and Energy Engineering, Wuhan Institute of Technology, Wuhan 430205, People's Republic of China
    • 2School of Physics and Key Laboratory for Intelligent Sensing System and Security of Ministry of Education, Hubei University, Wuhan 430062, People's Republic of China
    • 3The State Key Laboratory of Refractories and Metallurgy, School of Materials Science and Engineering, Wuhan University of Science and Technology, Wuhan 430081, People's Republic of China
    • 4Key Laboratory of Artificial Micro- and Nano-structures of Ministry of Education, School of Physics and Technology, Wuhan University, Wuhan 430072, People's Republic of China

    • *Contact author: zhangpan@hubu.edu.cn
    • †Contact author: shihengliang@hubu.edu.cn
    • ‡Contact author: tommyu91@163.com

    Phys. Rev. B 114, 014304 – Published 1 July, 2026

    DOI: https://doi.org/10.1103/tq49-wtj2

    Abstract

    Electric field-induced phase transitions in ferroelectrics provide a reversible and effective strategy for tuning the lattice thermal conductivity. In this study, we systematically investigate phonon thermal transport in bilayer SnSe across its antiferroelectric (AFE) and ferroelectric (FE) phases using accurate neural network potentials combined with the phonon Boltzmann transport equation. Our results reveal that the AFE-to-FE transition dramatically reduces the lattice thermal conductivity, achieving ultralow values of 0.21 and 0.15Wm−1K−1 along the a and b axes at 300K, respectively. This suppression is primarily attributed to a downward shift of low-frequency optical branches due to weakened interlayer interactions, together with enhanced phonon anharmonicity induced by bonding heterogeneity. Furthermore, the AFE and FE phases of SnSe exhibit marked differences in four-phonon scattering processes and optical phonon transport behavior. While four-phonon processes are negligible in the AFE phase, they become crucial in the FE phase, reducing the lattice thermal conductivity by up to 50%. Moreover, in the FE phase, optical phonons contribute up to 78.0% and 90.7% of the thermal conductivity along the a and b axes, respectively, which deviates from the conventional acoustic phonon-dominated paradigm. Further analysis shows that this phenomenon is driven by the hardening of optical phonons and the enhanced anharmonicity of acoustic phonons. This work not only deepens the understanding of phonon thermal transport in ferroelectric materials but also provides crucial insights for its efficient regulation.

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