The di-interstitial in graphite

Latham, C D, Heggie, M I, Gámez, J A, Suarez-Martinez, I, Ewels, C P and Briddon, P R (2008) The di-interstitial in graphite. Journal of Physics: Condensed Matter, 20 (39). ISSN 0953-8984

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Di-interstitial defects appear to play a key role in the microscopic understanding of radiation-induced damage in graphite. Their formation has been invoked as both one of the main causes of dimensional change and as an energy releasing step in annealing cryogenic radiation-induced damage. In the present work, first principles calculations are employed to examine several models for these defects. Two of the structures possess nearly equal energy, yet take very different forms. The results suggest that di-interstitial defects cannot play the principal role in radiation damage that has been assigned to them. The possibility that one of the structures may exhibit ferromagnetism is also investigated.

Item Type: Article
Schools and Departments: School of Life Sciences > Chemistry
Depositing User: Christopher Latham
Date Deposited: 06 Feb 2012 20:32
Last Modified: 30 Nov 2012 17:07
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