GROWTH SEQUENCE OF Si-CLUSTERS : FROM A FEW ATOMS TO THE AMORPHOUS PHASE

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Abstract
We study the growth sequence of clusters of atoms bonded by s and p electronic interactions. It is demonstrated that, like in the case of central forces, the clusters bear little relation to the structures formed as subunits of tri or tetravalent crystalline lattices. The stability of the cluster increases with the number of bonds even if the bond formation is accompanied by bond angles substantially different from 109 or 120°. But, in contrast with the case of central forces, bond angles Si-Si-Si smaller than about 90° produce an increase in bond length accompanied by a weakening of the cluster cohesion. We find that in some case the system undergoes a Jahn-Teller distortion when the HOMO (Highest Occupied Molecular Orbital) is degenerate

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