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    Uniaxial stress tuning of interfacial thermal conductance in cubic BAs/4H-SiC heterostructures

    Lei Zhang1, Fei Tian2, Ke Chen1, Zhongbo Yan1, and Kun Cao1,*

    • 1Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices, State Key Laboratory of Optoelectronic Materials and Technologies, Center for Neutron Science and Technology, School of Physics, Sun Yat-Sen University, Guangzhou 510275, China
    • 2School of Materials Science and Engineering, State Key Laboratory of Optoelectronic Materials and Technologies, Sun Yat-sen University, Guangzhou 510006, China

    • *Contact author: caok7@mail.sysu.edu.cn

    Phys. Rev. Materials 9, 094604 – Published 29 September, 2025

    DOI: https://doi.org/10.1103/12z6-4kj4

    Abstract

    Understanding interfacial thermal transport is essential for improving thermal management in high-speed power electronic devices, where the efficient removal of excess heat is a critical challenge. In this study, a machine-learning interatomic potential with near-first-principles accuracy was employed to investigate the interfacial thermal conductance (ITC) between [111]-oriented cubic boron arsenide (cBAs) and [0001]-oriented 4H silicon carbide (4H-SiC), as well as its dependence on uniaxial stress. Among all possible bonding configurations at the cBAs(111)/4H-SiC(0001) interface, the B–C bonded interface was identified as the most energetically favorable. Nonequilibrium molecular-dynamics simulations revealed that, under ambient conditions (300 K and 0 GPa), the ITC of the B–C interface reaches 353±6MWm−2K−1, and increases monotonically to 460±3MWm−2K−1 under a uniaxial stress of 25 GPa perpendicular to the interface. For comparison, the As–C-bonded interface exhibits a lower ITC, increasing from 233±7 to 318±6MWm−2K−1 over the same stress range. These results demonstrate that proper interfacial bonding and moderate uniaxial stress can significantly enhance thermal transport across the cBAs(111)/4H-SiC(0001) heterointerface, offering valuable insight for thermal design in next-generation power electronics.

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