Effect of Al atom Doping on Band Gap of Rectangular Cross Section Si nanowire

摘要

In this work band gap of hydrogen-passivated, free-standing silicon nanowires, oriented along [111] direction with rectangular cross section was studied. Further the effect of doping of Al atom on band structure is also analyzed by using GGA approximation. it is found that the band gap of H-SiNW dramatically reduced upon doping and nanowire start behaving as bulk silicon.