Influences of Mg doping and N vacancy on the optoelectronic properties of GaN nanowires

Abstract

For the optimization of p-type doping processing of GaN nanowires, the influences of Mg doping and N vacancy on the optoelectronic properties of GaN nanowires are researched on the basis of first principles. The formation energy, work function, band structures, optical properties are calculated and discussed. Results show that ideal p-type GaN nanowire can be obtained through Mg doing process. However, the existence of N vacancy will weaken the p-type conductivity of Mg-doped GaN nanowires. N vacancies are urgently needed to be avoided during Mg doping process of GaN nanowires.