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The European Physical Journal D

, Volume 43, Issue 1–3, pp 129–132 | Cite as

Structure and magnetism in carbon nanotubes including magnetic wire

  • H. Shiroishi
  • T. OdaEmail author
  • H. Sakashita
  • N. Fujima
Fullerenes, Nanotubes and Nanowires

Abstract.

We have studied the electronic structure of the carbon nanotubes which include Fe atomic wire with using the density functional theory. As the stable geometries, we obtained the straight and zigzag wires, which have ferromagnetic and antiferromagnetic alignments, respectively. The antiferromagnets consists of the two ferromagnetic dimers which couple in antiparallel alignment. We presents the band dispersions and the density of states for the magnetic nanotubes. The electronic structure at the Fermi level consists of the Fe 3d and C 2pπ states, which shows a strong hybridization between them.

PACS.

73.22.-f Electronic structure of nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals 75.75.+a Magnetic properties of nanostructures 71.15.Pd Molecular dynamics calculations (Car-Parrinello) and other numerical simulations 

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Copyright information

© EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2007

Authors and Affiliations

  1. 1.Graduate School of Natural Science and Technology, Kanazawa UniversityKanazawaJapan
  2. 2.Faculty of Engineering, Shizuoka UniversityHamamatsuJapan

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