https://doi.org/10.1140/epjd/e2007-00055-3
Structure and magnetism in carbon nanotubes including magnetic wire
1
Graduate School of Natural Science and Technology, Kanazawa University, 920-1192, Kanazawa, Japan
2
Faculty of Engineering, Shizuoka University, 432-8561, Hamamatsu, Japan
Corresponding author: a oda@cphys.s.kanazawa-u.ac.jp
Received:
23
July
2006
Revised:
6
November
2006
Published online:
24
May
2007
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
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2007