Impact of B and P Doping on the Elastic Properties of Si Nanowires.

Using gradient-corrected density functional theory we investigate the mechanical properties of ultrathin boron (B) and phosphorus (P) doped silicon nanowires (SiNWs) along the [001] and [111] orientations within the PBE approximation. Both pristine and doped SiNWs under study have diameters ranging from 5 to 8 Å. Our results show that doping significantly enhances the bulk modulus (B0), shear modulus (GV), Young's modulus (), and other mechanical parameters.