Dimer-covering resonating-valence-bond treatment of single-walled zigzag carbon nanotubes
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...
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| Formato: | artículo |
| Estado: | Versión aceptada para publicación |
| Fecha de publicación: | 2011 |
| País: | España |
| Recursos: | Universidad de Barcelona |
| Repositorio: | Dipòsit Digital de la UB |
| OAI Identifier: | oai:diposit.ub.edu:2445/200144 |
| Acesso em linha: | https://hdl.handle.net/2445/200144 |
| Access Level: | acceso abierto |
| Palavra-chave: | Nanotubs Carbó Àtoms Nanotubes Coal Atoms |
| Resumo: | 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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