Metastable Frenkel Pair Defect in Graphite: Source of Wigner Energy?

C. P. Ewels, R. H. Telling, A. A. El-Barbary, M. I. Heggie, and P. R. Briddon
Phys. Rev. Lett. 91, 025505 – Published 10 July 2003

Abstract

The atomic processes associated with energy storage and release in irradiated graphite have long been subject to untested speculation. We examine structures and recombination routes for interstitial-vacancy (I-V) pairs in graphite. Interaction results in the formation of a new metastable defect (an intimate I-V pair) or a Stone-Wales defect. The intimate I-V pair, although 2.9 eV more stable than its isolated constituents, still has a formation energy of 10.8 eV. The barrier to recombination to perfect graphite is calculated to be 1.3 eV, consistent with the experimental first Wigner energy release peak at 1.38 eV. We expect similar defects to form in carbon nanostructures such as nanotubes, nested fullerenes, and onions under irradiation.

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  • Received 4 November 2002

DOI:https://doi.org/10.1103/PhysRevLett.91.025505

©2003 American Physical Society

Authors & Affiliations

C. P. Ewels*, R. H. Telling, A. A. El-Barbary, and M. I. Heggie

  • CPES, University of Sussex, Falmer, Brighton BN1 9QJ, United Kingdom

P. R. Briddon

  • Department of Physics, University of Newcastle, Newcastle NE1 7RU, United Kingdom

  • *Current address: DMSC, ONERA, 29 Av de la Division Leclerc, 92322 Chatillon, France. Electronic address: chris@ewels.info

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Vol. 91, Iss. 2 — 11 July 2003

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