# Effect of surface vacancy defects on the phonon thermal transport across GaN/diamond interface

https://mdr.nims.go.jp/datasets/321fbdbf-f624-4579-9490-cdf6ca41da9d

## File

- [manuscript-R1.docx](https://mdr.nims.go.jp/filesets/9b6b2852-5849-4a57-8ea7-430982254208/download) ([Detail](https://mdr.nims.go.jp/filesets/9b6b2852-5849-4a57-8ea7-430982254208.md))

## Id

321fbdbf-f624-4579-9490-cdf6ca41da9d

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-04-21T07:43:19.910036Z

## Updated at

2025-04-21T23:30:20.040567Z

## Published at

2025-04-21T23:19:48.387465Z

## Doi

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

## First published url

https://doi.org/10.1016/j.surfin.2024.105666

## Date published

2024-12-19

## Recorded date published

2025-1

## Resource type

journal_article

## Manuscript type

authors_original

## Collection



## Title

- title: Effect of surface vacancy defects on the phonon thermal transport across
    GaN/diamond interface
  title_type: original
  lang: en

## Description

- description: 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<sup> &minus;</sup>2K <sup> &minus;</sup>1 for C-Ga bonding and 4.79
    MWm<sup> &minus;</sup>2K <sup> &minus;</sup>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 <sup> &minus;</sup>2K<sup> &minus;</sup>1
    for the C-Ga interface and from 4.79 to 22.55 MWm<sup> &minus;</sup> 2K <sup>
    &minus;</sup>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.
  description_type: abstract
  lang: und

## Creator

- name: Kongping Wu
  role: author
  orcid: https://orcid.org/0000-0001-5672-7610
- name: Renxiang Cheng
  role: author
- name: Leng Zhang
  role: author
- name: Wenxiu Wang
  role: author
- name: Fangzhen Li
  role: author
- name: Meiyong Liao
  role: author
  orcid: https://orcid.org/0000-0003-1361-4266

## Contact agent



## Publisher

organization: Elsevier BV

## Managing organization



## Keyword

- subject: diamond
  schema: not_defined
- subject: heat spreader
  schema: not_defined
- subject: GaN
  schema: not_defined
- subject: calculation
  schema: not_defined

## Rights

- identifier: http://rightsstatements.org/vocab/InC/1.0/

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## Embargo



## Journal

- title: Surfaces and Interfaces
  issn: '24680230'
  volume: '56'
  article_number: '105666'

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## Fileset

- id: 9b6b2852-5849-4a57-8ea7-430982254208
  filename: manuscript-R1.docx
  content_type: application/vnd.openxmlformats-officedocument.wordprocessingml.document
  size: 2098777
  md5: 30bac3cf3e96938359b407eb45cc2360

## Thumbnail

fileset_id: 9b6b2852-5849-4a57-8ea7-430982254208
filename: manuscript-R1.docx