The effect of aluminum (Al) doping on the mechanical properties of silicene with density functional perturbation theory

Silicene has superior mechanical properties compared to other materials at the same group IV in the table of elements. The effect of Al dopant atom on the mechanical properties of silicene was calculated by density functional perturbation theory (DFPT) approach. The results of this study show enhancement of mechanical properties of silicene in the form of material elasticity, hardness, ductility, brittleness, and plasticity due to Al atom. The enhancement was attributed to the binding energy and the distribution of electron density.