Electrical conductivity improvement of charged Ga vacancies in wurtzite GaN

Abstract

This investigation explores the complex role of Ga vacancy charged defect in the crystalline structure of wurtzite Gallium Nitride (GaN), highlighting a significant increase in electrical conductivity—contrary to conventional beliefs. Through advanced Density Functional Theory (DFT) calculations, the study reveals that specific configurations of Ga vacancy charged defect contribute to a sixfold increase in electrical conductivity in wurtzite GaN. However, it is crucial to note that N vacancy charged defects negatively impact these electrical properties. This detailed theoretical analysis sheds light on how these vacancy charged defects can positively affect conductivity and provides a novel perspective on charged defects in GaN, paving the way for the optimized design of GaN in the future.