Are fullerene tubules metallic?

J. W. Mintmire, B. I. Dunlap, and C. T. White
Phys. Rev. Lett. 68, 631 – Published 3 February 1992
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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.

  • Received 9 October 1991

DOI:https://doi.org/10.1103/PhysRevLett.68.631

©1992 American Physical Society

Authors & Affiliations

J. W. Mintmire, B. I. Dunlap, and C. T. White

  • Naval Research Laboratory, Washington, DC 20375-5000

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Vol. 68, Iss. 5 — 3 February 1992

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