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Band structure of boron doped carbon nanotubes

Materials Science 2009-11-10 v1

Abstract

We present {\it ab initio} and self-consistent tight-binding calculations on the band structure of single wall semiconducting carbon nanotubes with high degrees (up to 25 %) of boron substitution. Besides a lowering of the Fermi energy into the valence band, a regular, periodic distribution of the p-dopants leads to the formation of a dispersive ``acceptor''-like band in the band gap of the undoped tube. This comes from the superposition of acceptor levels at the boron atoms with the delocalized carbon π\pi-orbitals. Irregular (random) boron-doping leads to a high concentration of hybrids of acceptor and unoccupied carbon states above the Fermi edge.

Keywords

Cite

@article{arxiv.cond-mat/0311169,
  title  = {Band structure of boron doped carbon nanotubes},
  author = {Ludger Wirtz and Angel Rubio},
  journal= {arXiv preprint arXiv:cond-mat/0311169},
  year   = {2009}
}

Comments

4 pages, 2 figures