The article discusses the global geometry optimization of silicon clusters described by three empirical potentials. The results showed that the global minima obtained based on the basin-hopping method are identical to those reported by using the genetic algorithm, as well as with those by using molecular dynamics. It was also found that for the larger Stillinger-Weber (SW) clusters, the 'bulklike' endohedral atom with tetrahedral coordination starts at n=20.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry