Structure and magnetism in carbon nanotubes including magnetic wire
- 102 Downloads
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
Unable to display preview. Download preview PDF.