Phys. Rev. Lett. 68, 631–634 (1992)Are fullerene tubules metallic?Received 9 October 1991; published in the issue dated 3 February 1992 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. © 1992 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.68.631
DOI:
10.1103/PhysRevLett.68.631
PACS:
71.20.Hk, 31.20.Sy, 36.20.Kd, 72.80.Le
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