Defective fullerenes and nanotubes as molecular magnets: An ab initio study

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Using ab initio spin-density-functional calculations, we investigate the electronic and magnetic structures of a C-60 fullerene during a structural transition to a nanotube segment by a series of Stone-Wales transformations. We find that partly opened intermediate cage structures may acquire a magnetic moment of several Bohr magnetons. Our results offer a possible explanation for the ferromagnetic behavior observed in polymerized C-60 following exposure to high temperatures and pressures, and suggest the use of carbon nanostructures for magnetic measurements.
Publisher
AMERICAN PHYSICAL SOC
Issue Date
2003-09
Language
English
Article Type
Article
Keywords

CARBON; EDGE; RIBBONS; STATES

Citation

PHYSICAL REVIEW B, v.68, no.12, pp.125420 - 125420

ISSN
1098-0121
DOI
10.1103/PhysRevB.68.125420
URI
http://hdl.handle.net/10203/83334
Appears in Collection
NT-Journal Papers(저널논문)PH-Journal Papers(저널논문)
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