title: Magnetic properties of all-carbon graphene-fullerene nanobuds.
abstract: The magnetic properties of proposed all-carbon graphene-fullerene nanobuds have been investigated through spin-polarized density functional theory. Four structures (A, B, C and D) are proposed in terms of the geometry, and analysis of the formation of new chemical bonds in the nanobuds is conducted. Cases A and B possess magnetic moments of nearly 6 μ(B), originating from unpaired spins due to the chemical bond formation from two next-nearest atoms in graphene. In Cases C and D, the connections of two atoms in different sublattices of graphene cannot generate unpaired spins, resulting in non-magnetic states. The magnetic nanobuds hold great promise for new spintronics and guide the controllable experimental synthesis of desired geometries.
authors.affiliation: School of Chemical and Biomedical Engineering, Nanyang Technological University, Singapore.
authors.forename: Min
authors.initials: M
authors.lastname: Wang
authors.forename: Chang Ming
authors.initials: CM
authors.lastname: Li
mesh_terms: D037741:Fullerenes / Q000737:chemistry*; D006108:Graphite / Q000737:chemistry*; D008280:Magnetics; D049329:Nanostructures / Q000737:chemistry*; D011789:Quantum Theory
chemical_list: D037741:Fullerenes; D006108:Graphite