Latham, C. D., Heggie, M. I., Gamez, J. A., Suarez-Martinez, I., Ewels, C. P. & Briddon, P. R. (2008) The di-interstitial in graphite. J. Phys.-Condes. Matter, 20 395220.
Added by: Laurent Cournède (2016-03-10 21:58:41)
|Type de référence: Article
Numéro d'identification (ISBN etc.): 0953-8984
Clé BibTeX: Latham2008
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Mots-clés: ab-initio, defect formation, energy, gaas, loops, neutron-irradiated graphite, point-defects, pyrolytic-graphite
Créateurs: Briddon, Ewels, Gamez, Heggie, Latham, Suarez-Martinez
Collection: J. Phys.-Condes. Matter
Consultations : 13/671
Indice de consultation : 3%
Indice de popularité : 0.75%
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.
Added by: Laurent Cournède