Jump to main content
Jump to site search


Pressure tuning of the thermal conductivity of gallium arsenide from first-principles calculations

Author affiliations

Abstract

In this paper, the variation of the lattice thermal conductivity of GaAs under pressure within the range of 0–20 GPa at room temperature is investigated by combining first-principles calculations with an iterative solution of the phonon Boltzmann transport equation. Firstly, we calculated the lattice thermal conductivity of GaAs at 12 GPa, which increases by more than 37% in comparison with that under atmospheric pressure. The detailed analysis of phonon heat transport properties shows that the pressure contributes to increased phonon group velocity coupled with decreased phonon relaxation time, resulting in the pressure-induced nonlinear increase of the thermal conductivity of zinc blende GaAs. Besides, not only the structure but also the phonon heat transport properties of GaAs transform from isotropic to anisotropic beyond the phase transition pressure. This study provides a quantitative understanding of the thermal conductivity of GaAs considering pressure-induced phase transitions and highlights the importance of pressure in tuning lattice thermal conductivity, especially in pressure-induced phase change materials.

Graphical abstract: Pressure tuning of the thermal conductivity of gallium arsenide from first-principles calculations

Back to tab navigation

Publication details

The article was received on 17 Sep 2018, accepted on 14 Nov 2018 and first published on 15 Nov 2018


Article type: Paper
DOI: 10.1039/C8CP05858J
Citation: Phys. Chem. Chem. Phys., 2018, Advance Article
  •   Request permissions

    Pressure tuning of the thermal conductivity of gallium arsenide from first-principles calculations

    Z. Sun, K. Yuan, X. Zhang and D. Tang, Phys. Chem. Chem. Phys., 2018, Advance Article , DOI: 10.1039/C8CP05858J

Search articles by author

Spotlight

Advertisements