Modeling Interlayer Interactions and Phonon Thermal Transport in Silicene Bilayer

• DOI: 10.48550/arxiv.2305.15423
• Publication Date: 2023-01-01
• Authors: Sapta Sindhu Paul...; S. Appalakondaiah; Santosh Mogurampelly
• Keywords: Bilayer graphene

We develop an accurate interlayer pairwise potential derived from the \textit{ab-initio} calculations and investigate thermal transport of silicene bilayers within framework equilibrium molecular dynamics simulations. The electronic properties are found to be sensitive temperature with opening band gap in $\Gamma$$\rightarrow$M direction. calculated phonon conductivity bilayer is surprisingly higher than that monolayer silicene, contrary trends reported for other classes 2D materials like graphene hBN bilayers. This counterintuitive behavior attributed interaction effects inherent buckling, which lead a group velocity LA$_1$/LA$_2$ modes. both mono- decreases as $\kappa\sim T^{-0.9}$ because strong correlations between characteristic timescales heat current autocorrelation function ($\tau\sim T^{-0.75}$). mechanisms underlying further established by analyzing induced changes acoustic velocity.