Theory of graphitic boron nitride nanotubes
- Department of Physics, University of California at Berkeley, Berkeley, California 94720 (United States) Materials Sciences Division, Lawrence Berkeley Laboratory, Berkeley, California 94720 (United States)
Based upon the similarities in properties between carbon- and BN-based (BN=boron nitride) materials, we propose that BN-based nanotubes can be stable and study their electronic structure. A simple Slater-Koster tight-binding scheme has been applied. All the BN nanotubes are found to be semiconducting materials. The band gaps are larger than 2 eV for most tubes. Depending on the helicity, the calculated band gap can be direct at [Gamma] or indirect. In general, the larger the diameter of the nanotube the larger the band gap, with a saturation value corresponding to the calculated local-density-approximation band gap of hexagonal BN. The higher ionicity of BN is important in explaining the electronic differences between these tubes and similar carbon nanotubes.
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 5289152
- Journal Information:
- Physical Review, B: Condensed Matter; (United States), Journal Name: Physical Review, B: Condensed Matter; (United States) Vol. 49:7; ISSN 0163-1829; ISSN PRBMDO
- Country of Publication:
- United States
- Language:
- English
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BORON COMPOUNDS
BORON NITRIDES
CARBON
CRYSTAL STRUCTURE
ELECTRONIC STRUCTURE
ELEMENTAL MINERALS
ELEMENTS
GRAPHITE
MATERIALS
MINERALS
NITRIDES
NITROGEN COMPOUNDS
NONMETALS
PNICTIDES
SEMICONDUCTOR MATERIALS
TUBES