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Structural stability of the $B_{80}$ fullerene against defect formation

Authors :
Bao, Kuo
Goedecker, Stefan
Genovese, Luigi
Neelov, Alexey
Ghasemi, S. Alireza
Deutsch, Thierry
Publication Year :
2009
Publisher :
arXiv, 2009.

Abstract

Using a systematic search algorithm we identify several types of point defects in the boron fullerene with 80 atoms. All these point defect leave the cage structure intact. In addition the cage structure is also very stable with respect to elastic deformations and addition or removal of atoms.

Details

Database :
OpenAIRE
Accession number :
edsair.doi.dedup.....f4dd0a63582d40f686575f480e8c93cb
Full Text :
https://doi.org/10.48550/arxiv.0902.1599