Spontaneous Formation and Stability of Small GaP Fullerenes

V. Tozzinni, F. Buda, A. Safolino

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Abstract

An ab initio molecular dynamics simulation was used for the spontaneous formation of GaP fullerene cage. The stability of the heterofullerenes was analyzed through a study of the geometric and electronic properties of the neutral and ionized GaP clusters. It was found that the GaP fullerenes upto 28 atoms, have high symmetry, closed electronic shells, and do not dissociate upon ionization.
Original languageEnglish
Pages (from-to)4554-4557
Number of pages3
JournalPhysical Review Letters
Volume85
Issue number21
DOIs
Publication statusPublished - 2000

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