Topology, connectivity and electronic structure of C and B cages and the corresponding nanotubes

Details Topology, connectivity and electronic structure of C and B cages and the corresponding nanotubes Topology, connectivity and electronic structure of C and B cages and the corresponding nanotubes

2003-02-03

arxiv.org/abs/cond-mat/0302038v1

Physics

Condensed Matter

22 pages (revtex4) 12 figures

Scientific paper

After a brief discussion of the structural trends which appear with increasing number of atoms in B cages, a one-to one correspondence between the connectivity of B cages and C cage structures will be proposed. The electronic level spectra of both systems from Hartree-Fock calculations is given and discussed. The relation of curvature introduced into an originally planar graphitic fragment to pentagonal 'defects' such as are present in buckminsterfullerene is also briefly treated. A study of the structure and electronic properties of B nanotubes will then be introduced. We start by presenting a solution of the free-electron network approach for a 'model boron' planar lattice with local coordination number 6. In particular the dispersion relation E(k) for the pi-electron bands, together with the corresponding electronic Density Of States (DOS), will be exhibited. This is then used within the zone folding scheme to obtain information about the electronic DOS of different nanotubes obtained by folding this model boron sheet. To obtain the self-consistent potential in which the valence electrons move in a nanotube, 'the March model' in its original form was invoked and results are reported for a carbon nanotube. Finally, heterostructures, such as BN cages and fluorinated buckminsterfullerene, will be briefly treated, the new feature here being electronegativity difference.

Affiliated with

Also associated with

No associations

Rating

Topology, connectivity and electronic structure of C and B cages and the corresponding nanotubes does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Topology, connectivity and electronic structure of C and B cages and the corresponding nanotubes, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Topology, connectivity and electronic structure of C and B cages and the corresponding nanotubes will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-350135