Thermal Transport in Carbon Doped Armchair Stanene Nanoribbons: A Molecular Dynamics Study

摘要

The thermal transport characterization of carbon doped armchair stanene nanoribbon (STNR) is analyzed using equilibrium molecular dynamics (EMD) simulation. The thermal conductivity for the pristine armchair STNR of size 15nm × 4nm is calculated as 1.046±0.19Wm⁻¹ K⁻¹. We compute the thermal conductivity of carbon doped armchair STNR for different types of doping patterns namely single doping, edge doping and double doping with varying doping concentration. We find that the thermal conductivity of carbon doped armchair STNR increases continuously with the increasing carbon doping concentration for all doping patterns. Double doping pattern manifests the largest degree of thermal conductivity improvement. Of the remaining two patterns, single doping pattern induces more thermal conductivity enhancement than edge doping pattern. The dependence of carbon doped armchair STNR thermal conductivity on nanoribbon width as well as system temperature is also analyzed. At a specific doping concentration, the thermal conductivity of carbon doped armchair STNR shows an increasing trend with increasing nanoribbon width while the thermal conductivity shows a drooping characteristics with the rising temperature. Such investigation would stir further study for optimized heat management in stanene nanoribbon based nanoelectronic devices.