Influence of charge on the structures for small Sin clusters
نویسندگان
چکیده
-We have investigated the influence of charge on the ground state structures for small Sin (n=5-10) clusters by using the full-potential linear muffin-tin orbital molecular-dynamics (FP-LMTO-MD) method. Addition or removal of one or two electrons does not change the geometrical configurations of the small Sin (n=5-10) clusters even though they undergo some structural distortion. But the structural distortion is different for the small Si cluster with different atomic number as charge increases. The distortion arises from the electrostatic repulsion among the charged atoms, and the change of bonding characteristic for some atoms. Key-Words:silicon cluster, stable structure, ion, distortion, molecular-dynamics simulation, charge
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