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2011

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Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/200144

Dimer-covering resonating-valence-bond treatment of single-walled zigzag carbon nanotubes

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Abstract

Single-walled zigzag carbon nanotubes with h hexagons around the carbon nanotube, h ranging from 3 to 19, have been investigated from a resonating-valence-bond point of view. The energies calculated for the undoped h = 3n-1 zigzag carbon nanotubes, n integer, suggest that the two lowest-lying phases are degenerate. Therefore, de-confined low-energy topological spin defects would occur. Then, these carbon nanotubes should be conductors, in analogy to polyacethylene. In clear contrast, no such degeneracy is obtained for either, h = 3n+1 or h = 3n, so bound pairs of topological spin defects are expected to occur in these cases. Our findings provide further insights into electron correlation and exchange effects in carbon nanotubes.

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Nanotubs, Carbó, Àtoms

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Nanotubes, Coal, Atoms

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Articles publicats en revistes (Física de la Matèria Condensada)
Articles publicats en revistes (Institut de Química Teòrica i Computacional (IQTCUB))

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GARCÍA BACH, Ma. de los Ángeles. Dimer-covering resonating-valence-bond treatment of single-walled zigzag carbon nanotubes. European Physical Journal B. 2011. Vol. 80, num. 469-475. ISSN 1434-6028. [consulted: 8 of August of 2026]. Available at: https://hdl.handle.net/2445/200144

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