Phonon thermal transport in silicene-germanene superlattice: a molecular dynamics study

Content Provider	Scilit
Author	Wang, Xinyu Hong, Yang Chan, Paddy K. L. Zhang, Jingchao
Copyright Year	2017
Description	Journal: Nanotechnology Two-dimensional (2D) hybrid materials have drawn enormous attention in thermoelectric applications. In this work, we apply a molecular dynamics (MD) simulation to investigate the phonon thermal transport in silicene-germanene superlattice. A non-monotonic thermal conductivity of silicene-germanene superlattice with period length is revealed, which is due to the coherent–incoherent phonon conversion and phonon confinement mechanisms. We also calculate the thermal conductivity of a Si-Ge random mixing monolayer, showing a U-shaped trend. Because of the phonon mode localizations at Ge concentration of 80%, thermal conductivity varies dramatically at low doping regions. By changing the total length (L$ _{total}$), the infinite-length thermal conductivities of pure silicene, pure germanene, silicene-germanene superlattice, and Si-Ge random mixing monolayer are extracted as 16.08, 15.95, 5.60 and 4.47 W/m-K, respectively. The thermal boundary conductance (TBC) of the silicene-germanene is also evaluated, showing a small thermal rectification. At L$ _{total}$ = 274.7 nm, the TBC of silicene to germanene is 620.49 $MW/m^{2}$-K, while that of germanene to silicene is 528.76 $MW/m^{2}$-K.
Related Links	http://iopscience.iop.org/article/10.1088/1361-6528/aa71fa/pdf
ISSN	09574484
e-ISSN	13616528
DOI	10.1088/1361-6528/aa71fa
Journal	Nanotechnology
Issue Number	25
Volume Number	28
Language	English
Publisher	IOP Publishing
Publisher Date	2017-06-23
Access Restriction	Open
Subject Keyword	Journal: Nanotechnology Silicene Germanene Superlattice
Content Type	Text
Resource Type	Article
Subject	Chemistry Nanoscience and Nanotechnology Mechanics of Materials Mechanical Engineering Bioengineering Electrical and Electronic Engineering