Structural and electronic properties of the metal-metal intramolecular junctions of single-walled carbon nanotubes

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dc.creatorFa, Wei
dc.creatorChen, Jiangwei
dc.creatorLiu, Hong
dc.creatorDong, Jinming
dc.date2005-04-25
dc.date.accessioned2026-07-07T03:04:54Z
dc.date.available2026-07-07T03:04:54Z
dc.descriptionSeveral intramolecular junctions (IMJs) connecting two metallic (11, 8) and (9, 6) carbon nanotubes along their common axis have been realized by using a layer-divided technique to the nanotubes and introducing the topological defects. Atomic structure of each IMJ configuration is optimized with a combination of density-functional theory (DFT) and the universal force field (UFF) method, based upon which a four-orbital tight-binding calculation is made on its electronic properties. Different topological defect structures and their distributions on the IMJ interfaces have been found, showing decisive effects on the localized density of states, while the sigma-pi coupling effect is negligible near Fermi energy (EF). Finally, a new IMJ model has been proposed, which probably reflects a real atomic structure of the M-M IMJ observed in the experiment [Science 291, 97 (2001)].
dc.description11 pages and 3 figures
dc.identifierhttps://arxiv.org/abs/cond-mat/0504623
dc.identifierhttp://arxiv.org/abs/cond-mat/0504623
dc.identifierPhysical Review B 69, 235413 (2004)
dc.identifierdoi:10.1103/PhysRevB.69.235413
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/26263
dc.subjectMaterials Science
dc.subjectOther Condensed Matter
dc.titleStructural and electronic properties of the metal-metal intramolecular junctions of single-walled carbon nanotubes
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