Abstract
Efficient heat dissipation across GaN/SiC interfaces is critical for the reliability of high-power devices, yet their interfacial thermal transport behavior remains insufficiently understood. Here, using a high-fidelity machine-learning interatomic potential, we perform systematic nonequilibrium molecular dynamics simulations to quantify and engineer the interfacial thermal conductance (ITC) of device-relevant SiC/GaN heterostructures. The results show that Al-rich AlxGa1−xN alloy interlayers and ultrathin amorphous layers can act as efficient phonon bridges for the strongly mismatched SiC/GaN interface by enhancing mid-frequency 5–15 THz transmission channels. In particular, a 1 nm Al0.75Ga0.25N interlayer markedly elevates the SiC/GaN ITC from ~ 243 to an unprecedented ~ 417 MW m−2K−1, corresponding to a 71% enhancement over the abrupt interface, whereas a 1 nm amorphous interlayer increases the ITC to ~ 384 MW m−2K−1. These enhancements in interfacial thermal conductance translate into clear device-level benefits. For instance, under a power density of 1 × 1016W m−3, the peak channel temperature decreases from 478 K for an abrupt SiC/GaN interface to 427 K with a 1 nm amorphous interlayer, and further to 416 K with a 1 nm Al0.75Ga0.25N interlayer. This work provides functional interface-design guidelines for improving thermal management in GaN/SiC-based high-power devices.
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Acknowledgements
We acknowledge support from the National Key R & D Program of China (2024YFA1409800), the National Natural Science Foundation of China (NSFC) (Grant No. 12574268 and No. 12174261), the GuangDong Basic and Applied Basic Research Foundation (Grant No. 2023A1515010365), and the State Key Laboratory of Mesoscience and Engineering (Grant No. MESO-23-D04).
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Zhang, Y., Tang, Z., Ouyang, T. et al. Achieving optimal GaN/SiC interfacial thermal conductance via ultrathin alloy interlayers for high-power device cooling. npj Comput Mater (2026). https://doi.org/10.1038/s41524-026-02134-6
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DOI: https://doi.org/10.1038/s41524-026-02134-6


