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Type: Artigo de periódico
Title: Spin Current In The Möbius Cyclacene Belts
Author: dos Santos M.C.
Alvarez F.
Abstract: We report on density functional theory studies of the electronic structure and magnetic properties of Möbius-[n]cyclacenes. The geometry of Möbius bands presents a modulation of bond lengths that is needed to accommodate the twist. This modulation takes the form of bond alternation defects analogous to those of solitons in polyacetylene. The ground state of all Möbius bands is a triplet, with a spin density distribution that follows the bond length modulation. A molecular dynamics simulation of the Möbius cyclacene at 300 K shows that the twist travels around the belt inducing a magnetic current. © 2009 Elsevier B.V. All rights reserved.
Rights: fechado
Identifier DOI: 10.1016/j.cplett.2009.02.046
Date Issue: 2009
Appears in Collections:Unicamp - Artigos e Outros Documentos

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