TY - JOUR
T1 - Theory of and Nanotubes
T2 - New Semiconductors and Metals in One Dimension
AU - Zhang, Peihong
AU - Crespi, Vincent H.
N1 - Funding Information:
Acknowledgements The authors acknowledge funding support from NASA under grant number NAGW-4138 through the Science Division of the Office of Mission to Planet Earth, and the support of the University of Wisconsin Agricultural Experiment Station. The authors would like to thank Drs T. N. Carlson, J. L. Hatfield and M. S. Moran for their comments on an early version of this manuscript.
PY - 2002
Y1 - 2002
N2 - We describe two new boron-based nanotubes: and. Both are isoelectronic to graphite, have reasonable curvature energies, and have already been made in their bulk planar forms. The lowest energy allotrope of planar single-layer is a semiconductor with a moderate band gap. The local density approximation band gap of the corresponding nanotube [similar in size to carbon nanotube tube] is direct and around 1.6 eV, within a range inaccessible to previous or nanotubes. Single-layer has a fascinating structure: the atoms rest above the boron hexagonal faces, nearly coplanar to the boron sheet. The unusual Fermi-level degeneracy of graphite survives, while a new nearly pointlike Fermi surface appears at the point. As a result, nanotubes are uniformly metallic.
AB - We describe two new boron-based nanotubes: and. Both are isoelectronic to graphite, have reasonable curvature energies, and have already been made in their bulk planar forms. The lowest energy allotrope of planar single-layer is a semiconductor with a moderate band gap. The local density approximation band gap of the corresponding nanotube [similar in size to carbon nanotube tube] is direct and around 1.6 eV, within a range inaccessible to previous or nanotubes. Single-layer has a fascinating structure: the atoms rest above the boron hexagonal faces, nearly coplanar to the boron sheet. The unusual Fermi-level degeneracy of graphite survives, while a new nearly pointlike Fermi surface appears at the point. As a result, nanotubes are uniformly metallic.
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U2 - 10.1103/PhysRevLett.89.056403
DO - 10.1103/PhysRevLett.89.056403
M3 - Article
AN - SCOPUS:85038333791
SN - 0031-9007
VL - 89
JO - Physical review letters
JF - Physical review letters
IS - 5
ER -