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Diamond offers excellent heat sink for high power high-electron-mobility transistors based on III-nitrides. However, the GaN/diamond interfaces suffer from low thermal conductance due to phonon mismatch. Although AlN interlayers can mitigate this issue, processing-induced carbon vacancies and subsurface disorder near the AlN/diamond interface recreate a new thermal bottleneck. In this study, we employ deep learning-enhanced non-equilibrium molecular dynamics (NEMD) simulations to investigate atomic-scale thermal transport across AlN/diamond interfaces, with a particular focus on quantifying the impact of carbon vacancies. Results show interfacial thermal conductance (ITC) for AlN-Al/C(1 1 1) depends non-monotonically on the carbon vacancy concentration. The ITC peaks at 151.7 MW·m−2K−1 at a carbon vacancy concentration of 2.4% due to the formation of resonant vibrational states that bridge the phonon gap and promote phonon delocalization, enabling efficient tunneling across the interface. However, beyond this optimal concentration, vacancy clustering induces destructive phonon interference, strong scattering, and severe localization effects, leading to a sharp decline in ITC. This work provides a pathway for optimizing AlN thermal bridges to achieve low thermal resistance in GaN-on-diamond devices through precise control of vacancy concentration and crystallinity.

権利情報:

• Creative Commons BY-NC Attribution-NonCommercial 4.0 International
  

キーワード: Diamond, thermal conductivity

刊行年月日: 2025-12-31

出版者: Informa UK Limited

掲載誌:

• Functional Diamond (ISSN: 26941112) vol. 5 issue. 1 2561987

研究助成金:

• National Supercomputing Center of Tianjin
• the Science Foundation of Jinling Institute of Technology jit-rcyj-202001

原稿種別: 査読前原稿 (Author's original)

MDR DOI: https://doi.org/10.48505/nims.5851

公開URL: https://doi.org/10.1080/26941112.2025.2561987

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更新時刻: 2025-11-05 12:30:04 +0900

MDRでの公開時刻: 2025-11-05 12:24:42 +0900