Tight-binding molecular dynamics simulations:The structure and stability of Si60 cluster

The structure and stability of Si60 clusters are simulated based on the tight - binding molecular dynamics with transferability. It is found that the stable structure of a Si60 cluster is a distorted truncated icosahedron, with T symmetry, its average bond length and diameter is 0.236 and 0.933nm. The effect of Jahn-Teller has an important influence on the structure of Si60 clusters . The results of the collisions of Si60 clusters with Si(111) surface shows that Si60 molecules with 40eV incident kinetic energy can be adsorbed on the Si(111) surface. Si60 molecules are less stability than C60 molecules.