Acta Phys. -Chim. Sin. ›› 1999, Vol. 15 ›› Issue (02): 143-149.doi: 10.3866/PKU.WHXB19990210

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Energies and Structures of (SiO2)n Clusters

Wang Cheng, Liu Lei, Li Yu-Fen   

  1. Department of Physics and State Key Joint Laboratory for Materials Modification by Laser,Ion and Electron Beams,Fudan University,Shanghai 200433
  • Received:1998-04-23 Revised:1998-07-15 Published:1999-02-15
  • Contact: Liu Lei

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Abstract:

The energies and structures of (SiO2)n clusters bound by a reliable empirical potential function have been studied A genetic algorithm has been used to search for the global minima on the empirical potential surface. The dependence of energy and structure of (SiO2 )n clusters on cluster size has been analysized and discussed, the results slow that no magic numbers in (SiO2)n clusters obviously exist, and, in the range of n≤20, there are no evidence for (SiO2)n to show the structural characters of the corresponding bulk materials.

Key words: Silica clusters, Cluster structures, Genetic algorithm