English

Constricted Boron Nanotubes

Materials Science 2007-05-23 v2

Abstract

The recent discovery of pure boron nanotubes raises questions about their detailed atomic structure. Previous simulations predicted tubular structures with smooth or puckered surfaces. Here, we present some novel results based on ab initio simulations of bundled single-wall zigzag boron nanotubes (ropes). Besides the known smooth and puckered modifications, we found new forms that are radially constricted, and which seem to be energetically superior to the known isomers. Furthermore, those structures might be interpreted as intermediate states between ideal tubular phases and the known bulk phases based on boron icosahedra.

Keywords

Cite

@article{arxiv.cond-mat/0410761,
  title  = {Constricted Boron Nanotubes},
  author = {Jens Kunstmann and Alexander Quandt},
  journal= {arXiv preprint arXiv:cond-mat/0410761},
  year   = {2007}
}

Comments

11 pages, 4 figures