Growth of small silicon and aluminum clusters

Abstract

SINDO1 calculations were performed to study the growth of small silicon and aluminum clusters. A comparison of the most stable structures of Si n and Al n with n = 3–10 was made and favorable pathways for the reaction Si n−1 + Si → Si n constructed. No barriers were found when the whole system was relaxed during the approach. Valence numbers indicate a redistribution, but no substantial increase of bonding in the Si n fragment in this reaction. The additional bonding is mainly due to the approaching silicon atom, not to a removal of free valencies of the Si n−1 cluster.