https://doi.org/10.1007/s100530050383
A computer simulation study of the ground-state configurations of Fe and Fe-Al clusters
Departamento de Física de la Materia Condensada, Facultad de
Física, Universidad de Santiago de Compostela,
15706 Santiago de Compostela,
Spain
Received:
29
April
1999
Published online: 15 December 1999
Using the noncentral embedded atom model potential recently
proposed by Besson and Morillo for 
bulk
alloys (
), we performed computer simulations
to predict the ground-state configurations of 
and
clusters (
). The computed
structures of clusters are in general agreement
with such theoretical results as have been obtained by density
functional calculations (i.e. for 
). The results for
Fe-rich clusters show surface segregation
of Al, which is in keeping with the findings of a previous study
of 
clusters.
PACS: 36.40.-c – Atomic and molecular clusters / 61.46.+w – Clusters, nanoparticles, and nanocrystalline materials
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 1999
