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Energy gap of alternant carbon nanotubes

✍ Scribed by Nikolai Tyutyulkov; Fritz Dietz; Martin Baumgarten; Klaus Müllen

Publisher
John Wiley and Sons
Year
1995
Tongue
English
Weight
452 KB
Volume
4
Category
Article
ISSN
1022-1344

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✦ Synopsis

Abstract

The energy spectra of two types of non‐helical carbon nanotubes are investigated theoretically. It is shown that either the topological or the correlational contributions determine the width of the band gap. In some cases (for nanotubes with diameter < 1 nm) the electron correlation changes qualitatively the results for the width of the energy gap Δ__E__: if in the one‐electron approximation the band width Δ__E__ = 0, the contribution of the electron correlation becomes dominant and increases the band gap Δ__E__ > 0. At small diameter of the nanotubes (D > 1 nm) the ground state of the tubes corresponds to semiconductors with moderate or narrow energy gap, while at D > 1 nm Δ__E__ decreases monotonously. The energy spectra of the planar ribbon polymers are compared with those of the iso‐electronic nanotubes.

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