Phonon transport across rough AlGaN/GaN interfaces with varying Al–Ga atomic ratios

Exploring interfacial thermal transport of a heterojunction interface is crucial to achieving advanced thermal management for gallium nitride-based high electron mobility transistor devices. The current research primarily focuses on material enhancements and microstructure design at the interfaces of epitaxial layers, buffer layers, and substrates, such as the GaN/SiC interface and GaN/AlN interface. Yet, the influence of different concentrations of Al/Ga atoms and interface roughness on the interfacial thermal conductance (ITC) of AlGaN/GaN interface, the closest interface to the hot spot, is still poorly understood. Herein, we focus on the rough AlGaN/GaN interface and evaluate the changes in ITC under different Al–Ga atomic concentrations and interface roughness using atomistic simulations. When the interface is completely smooth and AlGaN and GaN are arranged according to common polarization characteristic structures, the ITC gradually increases as the proportion of Al atoms decreases. When the proportion of Al atoms is reduced to 20%–30%, the impact of the interface structure on heat transfer is almost negligible. For interface models with different roughness levels, as the interface roughness increases, the ITC drops from 735.09 MW m−2 K−1 (smooth interface) to 469.47 MW m−2 K−1 by 36.13%. The decrease in ITC is attributed to phonon localization induced by rough interfaces. The phonon modes at the interface are significantly different from those in bulk materials. The degree of phonon localization is most pronounced in the frequency range that contributes significantly to heat flux. This work provides valuable physical insights into understanding the thermal transfer behaviors across the rough AlGaN/GaN interfaces.