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
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.
|Subjects:||Physical Science > Nanophysics|
Material Science > Functional and hybrid materials
Physical Science > Nano objects
|Deposited By:||Farnush Anwar|
|Deposited On:||09 Jan 2009 13:02|
|Last Modified:||12 Feb 2009 13:24|
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