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In this work, we investigate the interfacial thermal conductance of GaN/diamond interfaces using non-equilibrium molecular dynamics, with a particular focus on examining the effects of vacancy defects on phonon thermal transport. The interfacial thermal conductance of GaN/diamond interfaces was calculated to be 14.31 MWm ⁻2K ⁻1 for C-Ga bonding and 4.79 MWm ⁻2K ⁻1 for C–N bonding, respectively. These computational results are in excellent agreement with experimental data reported in the literatures. Additionally, it is revealed that Ga and N vacancies at the interface did not enhance the interfacial thermal conductance. However, carbon vacancy defects at the interface substantially improve the interfacial thermal conductance from 14.31 to 20.89 MWm ⁻2K ⁻1 for the C-Ga interface and from 4.79 to 22.55 MWm ⁻ 2K ⁻1for the C–N interface. Through comprehensive analysis of the phonon density of states, phonon participation rate and spectral heat current, we observed that besides harmonic phonon scattering, inelastic phonon scattering also made an important contribution to the interfacial thermal conductance. These research conclusions provide valuable theoretical insights in thermal management and design of GaN-based power electronic devices in experiments.

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• In Copyright
  

Keyword: diamond, heat spreader, GaN, calculation

Date published: 2024-12-19

Publisher: Elsevier BV

Journal:

• Surfaces and Interfaces (ISSN: 24680230) vol. 56 105666

Funding:

Manuscript type: Author's original (Submitted manuscript)

MDR DOI: https://doi.org/10.48505/nims.5445

First published URL: https://doi.org/10.1016/j.surfin.2024.105666

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Updated at: 2025-04-21 17:03:32 +0900

Published on MDR: 2025-04-22 08:19:48 +0900