Nano Archive

Electronic band structure of carbon nanotube superlattices from first-principles calculations

Ayuela, A and Chico, L and Jaskolski, W (2008) Electronic band structure of carbon nanotube superlattices from first-principles calculations. PHYSICAL REVIEW B, 77 (8).

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Official URL: http://link.aps.org/doi/10.1103/PhysRevB.77.085435

Abstract

We report on first-principles calculations for metallic carbon nanotube superlattices N(12,0)/N(6,6) with N=1-4. Although the calculated band structures show a good overall agreement with the results of the simpler tight-binding pi-electron approximation, electron interaction and correlation effects strongly modify some peculiar flatbands, previously found within a tight-binding approach [W. Jaskolski and L. Chico, Phys. Rev. B 71, 155405 (2005)]. In the ab initio approach, these bands are no longer dispersionless, much closer to the Fermi level, and are always nondegenerate, in contrast to former tight-binding results.

Item Type:Article
Subjects:Physical Science > Nanophysics
Material Science > Functional and hybrid materials
Physical Science > Nano objects
ID Code:2450
Deposited By:Farnush Anwar
Deposited On:09 Jan 2009 13:02
Last Modified:12 Feb 2009 13:24

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