Pressure-induced anisotropic reversal of thermal conductivity and its implication beyond conventional higher-order phonon scattering in non–van der Waals layered <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow><mi mathvariant="normal">B</mi><msub><mi mathvariant="normal">i</mi><mn>2</mn></msub><msub><mi mathvariant="normal">O</mi><mn>2</mn></msub><mi>Se</mi></mrow></math>

Zheng Chang; Zhongyin Zhang; Yongchao Zhu; Kunpeng Yuan; Muhammad Mushtaq; Jing Ma; Yi Xia; Tianqi Deng; Mohammed Al-Fahdi; Xiaoliang Zhang; Yufei Gao; Hongtao Liu; Jinshu Lu; Jie Zhu; Guanghua Cheng; Dawei Tang; Tiejun Zhu; Hailin Peng

doi:10.1103/ggp2-88ft

Pressure-induced anisotropic reversal of thermal conductivity and its implication beyond conventional higher-order phonon scattering in non–van der Waals layered $B i_{2} O_{2} Se$

Zheng Chang ^1,6,*, Zhongyin Zhang^2,*, Yongchao Zhu^3,*, Kunpeng Yuan⁴, Muhammad Mushtaq⁵, Jing Ma^1,†, Yi Xia^7,‡, Tianqi Deng ^6,8, Mohammed Al-Fahdi ⁹ et al.

Xiaoliang Zhang ¹⁰, Yufei Gao¹⁰, Hongtao Liu ³, Jinshu Lu¹, Jie Zhu ^10,§, Guanghua Cheng ¹¹, Dawei Tang ⁹, Tiejun Zhu ⁶, and Hailin Peng^12,3,¶

¹School of Naval Architecture and Maritime, Zhejiang Ocean University, Zhoushan, Zhejiang 316022, China
²School of Microelectronics, Northwestern Polytechnical University, Xi'an 710072, China
³Center for Nanochemistry, Beijing National Laboratory for Molecular Sciences (BNLMS), College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China
⁴College of New Energy, China University of Petroleum (East China), Qingdao 266580, China
⁵Department of Physics, University of Poonch Rawalakot, Rawalakot 12350, Pakistan
⁶State Key Laboratory of Silicon and Advanced Semiconductor Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027, China
⁷Department of Mechanical and Materials Engineering, Portland State University, Portland, Oregon 97201, USA
⁸Institute of Advanced Semiconductors & Zhejiang Provincial Key Laboratory of Power Semiconductor Materials and Devices, ZJU-Hangzhou Global Scientific and Technological Innovation Center, Zhejiang University, Hangzhou 310027, China
⁹Department of Mechanical Engineering, University of South Carolina, Columbia, South Carolina 29208, USA
¹⁰Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education, School of Energy and Power Engineering, Dalian University of Technology, Dalian 116024, China
¹¹School of Artificial Intelligence, Optics and Electronics (iOPEN), Northwestern Polytechnical University, Xi'an 710072, China
¹²Beijing Science and Engineering Center for Nanocarbons, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China

^*These authors contributed equally to this work.
^†Contact author: majing515@zjou.edu.cn
^‡Contact author: yxia@pdx.edu
^§Contact author: zhujie@dlut.edu.cn
^¶Contact author: hlpeng@pku.edu.cn

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Phys. Rev. B 112, 195204 – Published 17 November, 2025

DOI: https://doi.org/10.1103/ggp2-88ft

Abstract

High pressure, exemplifying extreme environments, offers opportunities to extensively probe the thermophysical properties and thermochemical reactions of materials, enabling numerous practical applications. Recent studies highlight nonencapsulated ultrathin semiconducting bismuth oxyselenide ( $B i_{2} O_{2} Se$ ) as an exceptional candidate for exploring thermal transport properties under elevated pressure, with potential implication for advanced high-speed and lower-power electronic devices. Here we employ in situ thermal measurements alongside first-principles calculations to uncover a unique switch of thermal conductivity ( $κ_{L}$ ) anisotropy in $B i_{2} O_{2} Se$ , occurring independent of any phase transition phenomenon under pressure. This unique phenomenon, previously unobserved experimentally and unreported theoretically for other known materials, arises from the interplay between higher-order four-phonon processes and interatomic interactions, which are modulated by pressure. These competitive mechanisms alter phonon propagation, leading to a reversal in the anisotropy of $κ_{L}$ . Especially, along the cross-plane direction, the pressure-dependent contributions of high-order phonon anharmonicity initially increase but subsequently decrease. Using Raman spectroscopy, a diamond anvil cell, and time-domain thermoreflectance, we systematically probe the intrinsic phonon line shape of phonon branches, as well as $κ_{L}$ up to 24 GPa. Our findings reveal the higher-order phonon anharmonicity contribution up to a $\sim 63 %$ to heat transfer in cross-plane direction, while the in-plane direction effectively bypasses the heating-carrying phonons. This study delivers fundamental insights into understanding novel heat conduction phenomena for the advancement of flexible thermal-energy-related applications under extreme conditions, including pressure sensors designed for wearable technology utilized in deep-sea exploration, oil drilling, and space missions.

Physical Review B

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Pressure-induced anisotropic reversal of thermal conductivity and its implication beyond conventional higher-order phonon scattering in non–van der Waals layered $B i_{2} O_{2} Se$

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Pressure-induced anisotropic reversal of thermal conductivity and its implication beyond conventional higher-order phonon scattering in non–van der Waals layered Bi2O2Se

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Pressure-induced anisotropic reversal of thermal conductivity and its implication beyond conventional higher-order phonon scattering in non–van der Waals layered $B i_{2} O_{2} Se$