@Article{cmes.2005.010.039,
AUTHOR = {Alberto M.  Coronado, Hanchen  Huang},
TITLE = {Facet-facet barriers on Cu{111} surfaces for Cu dimers},
JOURNAL = {Computer Modeling in Engineering \& Sciences},
VOLUME = {10},
YEAR = {2005},
NUMBER = {1},
PAGES = {39--44},
URL = {http://www.techscience.com/CMES/v10n1/24860},
ISSN = {1526-1506},
ABSTRACT = {Nanostructure fabrication or surface processing in general is predominantly kinetics-limited. One of the kinetics factors is surface diffusion, which involves intricate interplay between the diffusing atoms and substrate atoms. On Cu{111} surfaces, both adatoms and dimers diffuse very fast. Recent studies have shown that adatoms encounter a large facet-facet barrier, even though their conventional Ehrlich-Schwoebel barriers are small. This work examines the facet-facet diffusion barriers of dimers. Our results show that a dimer prefers diffusion through atom-by-atom mechanism, having a barrier of 0.52 eV from {111} to {111} facet and a barrier of 0.55 eV from {111} to {100} facet. When the two atoms in a dimer diffuse simultaneously, the barrier is 0.97 eV from {111} to {111} facet and 0.62 eV from {111} to {100} facet.},
DOI = {10.3970/cmes.2005.010.039}
}