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Metastable Frenkel pair defect in graphite: source of Wigner energy?

Ewels, CP, Telling, RH, El-Barbary, AA, Heggie, MI and Briddon, PR (2003) Metastable Frenkel pair defect in graphite: source of Wigner energy? Phys Rev Lett, 91 (2).

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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.

Item Type: Article
Authors :
NameEmailORCID
Ewels, CPUNSPECIFIEDUNSPECIFIED
Telling, RHUNSPECIFIEDUNSPECIFIED
El-Barbary, AAUNSPECIFIEDUNSPECIFIED
Heggie, MIm.heggie@surrey.ac.ukUNSPECIFIED
Briddon, PRUNSPECIFIEDUNSPECIFIED
Date : 11 July 2003
Identification Number : https://doi.org/10.1103/PhysRevLett.91.025505
Related URLs :
Depositing User : Symplectic Elements
Date Deposited : 17 May 2017 12:42
Last Modified : 17 May 2017 12:42
URI: http://epubs.surrey.ac.uk/id/eprint/836413

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