Uniaxial stress tuning of interfacial thermal conductance in cubic BAs/4H-SiC heterostructures
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 , and increases monotonically to under a uniaxial stress of 25 GPa perpendicular to the interface. For comparison, the As–C-bonded interface exhibits a lower ITC, increasing from to 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.