Physics – Condensed Matter – Materials Science
Scientific paper
2010-09-02
Phys. Rev. B 76, 125422 (2007)
Physics
Condensed Matter
Materials Science
6 pages, 9 figures
Scientific paper
10.1103/PhysRevB.76.125422
Toroidal carbon nanotubes can serve as hosts for encapsulated loops of atomic metal wires. Such composite structures have been analyzed using density functional theory for a semiconducting C$_{120}$ torus encapsulating chains of Fe, Au and Cu atoms. The sheathed metal necklaces form a zigzag structure and drops the HOMO/LUMO bandgap to less than 0.1 eV. The iron composite is ferromagnetic with a magnetic moment essentially the same as that of bcc iron. The azimuthal symmetry of these toroidal composites suggests that they may offer novel elecromagnetic properties not associated with straight, metal-encapsulated carbon nanotubes.
Hamm Nathaniel
Lusk Mark T.
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