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http://hdl.handle.net/2445/200144
Title: | Dimer-covering resonating-valence-bond treatment of single-walled zigzag carbon nanotubes |
Author: | García Bach, Ma. de los Ángeles |
Keywords: | Nanotubs Carbó Àtoms Nanotubes Coal Atoms |
Issue Date: | 2011 |
Publisher: | Springer Verlag |
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. |
Note: | Versió postprint del document publicat a: |
It is part of: | European Physical Journal B, 2011, vol. 80, p. 469-475 |
URI: | http://hdl.handle.net/2445/200144 |
ISSN: | 1434-6028 |
Appears in Collections: | Articles publicats en revistes (Física de la Matèria Condensada) Articles publicats en revistes (Institut de Química Teòrica i Computacional (IQTCUB)) |
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