Passivation and Doping due to Hydrogen in III-Nitrides

Abstract

We have systematically studied the electronic structure and stability of hydrogen in AlN, GaN, and InN, based on first-principles calculations. In GaN and AlN, H is amphoteric and always compensates the prevailing conductivity: in GaN, H+ is stable for Fermi levels below 2.2 eV, and in AlN, H+ is stable for EF below 2.5 eV. In InN, we find that H+ is stable for all Fermi level positions; i.e., H behaves exclusively as a donor. Consequences for controlling the conductivity of InN are discussed.