TY - JOUR
T1 - Structure and dynamics of small metallic clusters on an insulating metal-oxide surface
T2 - Copper on mgo(100)
AU - Musolino, V.
AU - Selloni, Annabella
AU - Car, Roberto
PY - 1999/10/18
Y1 - 1999/10/18
N2 - We report density functional calculations of the structural and dynamical properties of small copper clusters (Cun, n=2-5) adsorbed on MgO(100). As Cu-Cu intracluster interactions are stronger than cluster-surface interactions, the most stable geometries are found to be similar to those in the gas phase, with the cluster in an upright position with respect to the surface. Further ab initio molecular dynamics simulations indicate that the adsorbed clusters diffuse by “rolling” and “twisting” motions, with barriers that may be smaller than that for the hopping diffusion of a single adatom. 1999
AB - We report density functional calculations of the structural and dynamical properties of small copper clusters (Cun, n=2-5) adsorbed on MgO(100). As Cu-Cu intracluster interactions are stronger than cluster-surface interactions, the most stable geometries are found to be similar to those in the gas phase, with the cluster in an upright position with respect to the surface. Further ab initio molecular dynamics simulations indicate that the adsorbed clusters diffuse by “rolling” and “twisting” motions, with barriers that may be smaller than that for the hopping diffusion of a single adatom. 1999
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U2 - 10.1103/PhysRevLett.83.3242
DO - 10.1103/PhysRevLett.83.3242
M3 - Article
AN - SCOPUS:0001061567
SN - 0031-9007
VL - 83
SP - 3242
EP - 3245
JO - Physical review letters
JF - Physical review letters
IS - 16
ER -