Carbon clusters near the crossover to fullerene stability

P. R.C. Kent, M. D. Towler, R. J. Needs, G. Rajagopal

Research output: Contribution to journalArticlepeer-review

101 Scopus citations

Abstract

The energetic stability of structural isomers of C24, C26, C28, and C32 clusters, including fullerenes, is studied using diffusion quantum Monte Carlo methods. We predict that a C24 isomer is the smallest stable graphitic fragment and that the smallest stable fullerenes are the C26 and C28 clusters with C2v and Td symmetry, respectively. Given suitable experimental conditions these small fullerenes should therefore be producible in abundance, facilitating production of fullerene-based solids.

Original languageEnglish
Pages (from-to)15394-15397
Number of pages4
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume62
Issue number23
DOIs
StatePublished - Dec 15 2000
Externally publishedYes

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