Magnetism in Hybrid Carbon Nanostructures: Nanobuds

The robust magnetic state of recently synthesized hybrid carbon nanostructures, i.e., nanobuds, is predicted through comprehensive spin-polarized density-functional calculations. The effects of chirality, curvature, and topology on the magnetism of nanobuds are scrutinized by detailed electronic structure analysis. The substantial emergent amounts of unpaired spins originate in the presence of carbon radicals introduced by the geometry-induced electronic frustration. The location of radicals is mainly on the nanotube surface within the connecting region with fullerene, rather than surfaces with negative Gaussian curvature. The magnetic nanobuds hold great promise in the field of spintronics owing to their ready accessibility by experimental synthesis and fabrication. © 2009 The American Physical Society.