Negative-curvature fullerene analog of C60

David Vanderbilt and J. Tersoff
Phys. Rev. Lett. 68, 511 – Published 27 January 1992
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Abstract

An analog of the C60 buckyball structure is investigated, in which seven-fold rings play the same role as the five-fold rings of C60. This periodic C168 structure is topologically ideal in the same sense as C60: Every atom is in a topologically equivalent local environment, participating in one seven-fold and two six-fold rings. The excess energy per atom to create this structure from an ideal graphitic sheet is predicted to be substantially less than for C60. If this material could be synthesized, we predict that it would have elastic constants comparable to those of Si, but with a density nearly half that of graphite.

  • Received 16 October 1991

DOI:https://doi.org/10.1103/PhysRevLett.68.511

©1992 American Physical Society

Authors & Affiliations

David Vanderbilt

  • Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08855-0849

J. Tersoff

  • IBM Research Division, Thomas J. Watson Research Center, Yorktown Heights, New York 10598

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Vol. 68, Iss. 4 — 27 January 1992

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