First-principles calculations for effects of Fluorine impurity in GaN

Fluoride-based plasma treatment has been approved to be an effective technique to make E-Mode GaN-based HEMT by experiments. However, the detailed effect of Fluorine doping in GaN and AlGaN is still unclear and has never been studied theoretically. In this paper, F impurity in GaN material is firstly studied by First Principle Calculations. Sound explanations for the experimental phenomenon are derived from the results and further discuss is presented.