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

Kuo Bao; Stefan Goedecker; Luigi Genovese; Alexey Neelov; S. Alireza Ghasemi; Thierry Deutsch

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

Materials Science 2009-02-11 v1 Other Condensed Matter

Authors: Kuo Bao , Stefan Goedecker , Luigi Genovese , Alexey Neelov , S. Alireza Ghasemi , Thierry Deutsch

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.

Cite

@article{arxiv.0902.1599,
  title  = {Structural stability of the $B_{80}$ fullerene against defect formation},
  author = {Kuo Bao and Stefan Goedecker and Luigi Genovese and Alexey Neelov and S. Alireza Ghasemi and Thierry Deutsch},
  journal= {arXiv preprint arXiv:0902.1599},
  year   = {2009}
}

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