Are fullerene tubules metallic\?
Abstract
We have calculated the electronic structure of a fullerene tubule using a first-principles, self-consistent, all-electron Gaussian-orbital based local-density-functional approach. Extending these results to a model containing an electron-lattice interaction, we estimate that the mean-field transition temperature from a Peierls-distorted regime to a high-temperature metallic regime should be well below room temperature. Such fullerene tubules should have the advantages (compared to the other conjugated carbon systems) of a carrier density similar to that of metals and zero band gap at room temperature.
- Publication:
-
Physical Review Letters
- Pub Date:
- February 1992
- DOI:
- 10.1103/PhysRevLett.68.631
- Bibcode:
- 1992PhRvL..68..631M
- Keywords:
-
- 71.20.Hk;
- 31.20.Sy;
- 36.20.Kd;
- 72.80.Le;
- Electronic structure and spectra;
- Polymers;
- organic compounds