Metal-Boron Nanotubes

Details Metal-Boron Nanotubes Metal-Boron Nanotubes

2001-03-06

arxiv.org/abs/cond-mat/0103141v1

Physics

Condensed Matter

Materials Science

Scientific paper

Nanotubular materials inspired by crystalline diborides such as AlB_2 are proposed. The atomic structure, in particular the basic chemical question of where to put Al atoms in order to stabilize nanotubular Al-B systems, is investigated using density-functional calculations for prototype systems. The optimized tubular prototypes are found to be competitive in energy with their bulk crystalline counterparts. All of the tubular Al-B systems investigated are calculated to be metallic.

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