title: Hydrogen-mediated nitrogen clustering in dilute III-V nitrides.
abstract: First-principles calculation reveals multi-N clusters to be the ground states for hydrogenated N in dilute III-V nitrides. While hydrogenation of a single N, forming H2*(N), can relax the large strain induced by the size-mismatched N, formation of the clusters will relax the strain even more effectively. This suppresses the formation of H2*(N), the existence of which has recently been debated. More importantly, postgrowth dehydrogenation of the N-H clusters provides an explanation to the observed metastable bare N clusters in GaAsN grown by gas-source molecular beam epitaxy or metal-organic chemical vapor deposition.
authors.affiliation: National Renewable Energy Laboratory, Golden, Colorado 80401, USA.
authors.forename: Mao-Hua
authors.initials: MH
authors.lastname: Du
authors.forename: Sukit
authors.initials: S
authors.lastname: Limpijumnong
authors.forename: S B
authors.initials: SB
authors.lastname: Zhang