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The di-interstitial in graphite
journal contribution
posted on 2023-06-08, 06:39 authored by C D Latham, M I Heggie, J A Gámez, I Suarez-Martinez, C P Ewels, P R BriddonDi-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.
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Publication status
- Published
Journal
Journal of Physics: Condensed MatterISSN
0953-8984Publisher
Institute of PhysicsExternal DOI
Issue
39Volume
20Department affiliated with
- Chemistry Publications
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- No
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- Yes
Legacy Posted Date
2012-02-06Usage metrics
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