Effect of Al doping on Band Gap of hexagonal cross section SiNWs
Abstract
In this work band structure of hydrogen-passivated, free-standing silicon nanowires, oriented along [111] direction with hexagonal cross section was studied by using density functional theory using GGA approximation. Effect of doping of aluminium atom on band gap of silicon nanowire is also analyzed. It is found that doping of single Al atom can reduced the band gap of Si nanowire.