Abstract
The in-plane lattice thermal conductivity (LTC) of single layer silicene is predicted between temperatures 300 K and 600 K by equilibrium molecular dynamics simulations using Green-Kubo approach. We find that the LTC of silicene is nearly an order of magnitude lower than that of bulk silicon. The dependence of LTC on the concentration of defects – vacancies and impurities – is studied. LTC is found to be significantly reduced due to defects. The simulation results are in reasonable agreement with the calculations based on Boltzmann transport formalism under relaxation time approximation.
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