skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: First-principle-based full-dispersion Monte Carlo simulation of the anisotropic phonon transport in the wurtzite GaN thin film

Abstract

In this study, we developed a first-principle-based full-dispersion Monte Carlo simulation method to study the anisotropic phonon transport in wurtzite GaN thin film. The input data of thermal properties in MC simulations were calculated based on the first-principle method. The anisotropy of thermal conductivity in bulk wurtzite GaN is found to be strengthened by isotopic scatterings and reduced temperature, and the anisotropy reaches 40.08% for natural bulk GaN at 100 K. With the GaN thin film thickness decreasing, the anisotropy of the out-of-plane thermal conductivity is heavily reduced due to both the ballistic transport and the less importance of the low-frequency phonons with anisotropic group velocities. On the contrary, it is observed that the in-plane thermal conductivity anisotropy of the GaN thin film is strengthened by reducing the film thickness. And the anisotropy reaches 35.63% when the natural GaN thin film thickness reduces to 50 nm at 300 K with the degree of specularity being zero. The anisotropy is also improved by increasing the surface roughness of the GaN thin film.

Authors:
; ;  [1]
  1. State Key Laboratory of Coal Combustion and Thermal Packaging Laboratory, School of Energy and Power Engineering, Huazhong University of Science and Technology, Wuhan 430074 (China)
Publication Date:
OSTI Identifier:
22594608
Resource Type:
Journal Article
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 119; Journal Issue: 14; Other Information: (c) 2016 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-8979
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ANISOTROPY; AUGMENTATION; COMPUTERIZED SIMULATION; DISPERSIONS; GALLIUM NITRIDES; MONTE CARLO METHOD; PHONONS; ROUGHNESS; SCATTERING; SURFACES; THERMAL CONDUCTIVITY; THICKNESS; THIN FILMS; TRANSPORT THEORY; VELOCITY

Citation Formats

Wu, Ruikang, Hu, Run, and Luo, Xiaobing. First-principle-based full-dispersion Monte Carlo simulation of the anisotropic phonon transport in the wurtzite GaN thin film. United States: N. p., 2016. Web. doi:10.1063/1.4945776.
Wu, Ruikang, Hu, Run, & Luo, Xiaobing. First-principle-based full-dispersion Monte Carlo simulation of the anisotropic phonon transport in the wurtzite GaN thin film. United States. https://doi.org/10.1063/1.4945776
Wu, Ruikang, Hu, Run, and Luo, Xiaobing. 2016. "First-principle-based full-dispersion Monte Carlo simulation of the anisotropic phonon transport in the wurtzite GaN thin film". United States. https://doi.org/10.1063/1.4945776.
@article{osti_22594608,
title = {First-principle-based full-dispersion Monte Carlo simulation of the anisotropic phonon transport in the wurtzite GaN thin film},
author = {Wu, Ruikang and Hu, Run and Luo, Xiaobing},
abstractNote = {In this study, we developed a first-principle-based full-dispersion Monte Carlo simulation method to study the anisotropic phonon transport in wurtzite GaN thin film. The input data of thermal properties in MC simulations were calculated based on the first-principle method. The anisotropy of thermal conductivity in bulk wurtzite GaN is found to be strengthened by isotopic scatterings and reduced temperature, and the anisotropy reaches 40.08% for natural bulk GaN at 100 K. With the GaN thin film thickness decreasing, the anisotropy of the out-of-plane thermal conductivity is heavily reduced due to both the ballistic transport and the less importance of the low-frequency phonons with anisotropic group velocities. On the contrary, it is observed that the in-plane thermal conductivity anisotropy of the GaN thin film is strengthened by reducing the film thickness. And the anisotropy reaches 35.63% when the natural GaN thin film thickness reduces to 50 nm at 300 K with the degree of specularity being zero. The anisotropy is also improved by increasing the surface roughness of the GaN thin film.},
doi = {10.1063/1.4945776},
url = {https://www.osti.gov/biblio/22594608}, journal = {Journal of Applied Physics},
issn = {0021-8979},
number = 14,
volume = 119,
place = {United States},
year = {Thu Apr 14 00:00:00 EDT 2016},
month = {Thu Apr 14 00:00:00 EDT 2016}
}