Self-diffusion on Si(001) mono-hydride surfaces revisited: The role of adatom clustering

Simple item page
dc.creatorQian, Gefei
dc.creatorLuo, Xuan
dc.creatorZhang, S. B.
dc.creatorChang, Yia-Chung
dc.creatorHuang, Dehuan
dc.creatorRen, Shang-Fen
dc.date2006-12-05
dc.date.accessioned2026-07-07T07:34:58Z
dc.date.available2026-07-07T07:34:58Z
dc.descriptionFirst-principles total-energy calculations of the H/Si(001)-2x1 surfaces reveals a dual diffusion process for the Si adatoms: single along the dimer row while pairing up across the row. The calculated diffusion barrier along the dimer row is 1.1 eV, which is, however, too small to account for the hydrogen-induced growth disruption seen by experiments. Instead, we find that the adatom diffusion, in the presence of H, leads to the formation of immobile fourfold-ring Si tetramers which are difficult to break. This could explain the adverse effects of H on Si homoepitaxy.
dc.description4 pages 4 figures
dc.identifierhttps://arxiv.org/abs/physics/0612047
dc.identifierhttp://arxiv.org/abs/physics/0612047
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/119953
dc.subjectComputational Physics
dc.titleSelf-diffusion on Si(001) mono-hydride surfaces revisited: The role of adatom clustering
dc.typetext

Files

Collections

arXiv