The effect of nitrogen doping on the elastic properties of silicene

摘要

This paper deals with the elastic properties of pure and nitrogen-doped silicene using density functional theory. During the compression (tension) from -2 to 2 GPa of pure and nitrogen-doped silicene, the corresponding values for the bulk modulus are obtained. It is found that the doping of the silicene structure with nitrogen has practically no effect on the value of its bulk modulus. However, the Young's modulus is increased of about 1.25 times.