Abstract
Using first-principles calculations, we investigate the role of hydrogen in the passivation of Al, Ga, and In acceptors in . We find that interstitial hydrogen bonds to oxygen atoms next to the acceptor impurities and effectively neutralizes their electrical activities. Based on calculated binding energies and migration barriers we discuss conditions under which hydrogen can be removed and acceptor activation can take place. We also calculate the stretch-mode vibrational frequencies associated with the hydrogen-impurity complexes, providing a signature for their experimental identifications.
- Received 1 May 2009
DOI:https://doi.org/10.1103/PhysRevB.79.245206
©2009 American Physical Society