How Hydrodynamic Phonon Transport Determines the Convergence of Thermal Conductivity in Two-Dimensional Materials.

ABSTRACT: The phonon Boltzmann transport equation combined with first-principles calculation has achieved great success in exploring the lattice thermal conductivity (κ) of various materials. However, the convergence of the predicted κ is a critical issue, leading to quite scattered results recorded in the literature, even for the same material. In this paper, we explore the origin for the convergence of thermal conductivity in two-dimensional (2D) materials. Two kinds of typical 2D materials, graphene and silicene, are studied, and the bulk silicon is also compared as a control system for a three-dimensional material. The effect of the cutoff radius (rc) in the third-order interatomic force constants on κ is studied for these three materials. It is found that that κ of these three materials exhibit

SUBMITTER: Jiang J 

PROVIDER: S-EPMC9415093 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature