Abstract

We have investigated the interactions between p-type dopants (Be and Mg) and n-type codopants (Si and O) in p-type codoped GaN using first-principles calculations. Our results reveal that the co-incorporation of Be(Mg)Ga with ON or SiGa in codoped p-type GaN produces high Be(Mg) concentrations with stable ionic charge distributions markedly due to a decrease in the Madelung energy in contrast to p-type GaN doped with only Be(Mg). Our calculations thus predict that the “codoping method (doping n- and p-type dopants at the same time)” is effective for the fabrication of high-conductivity p-type GaN with a wurtzite structure.

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