Magnetism of substitutional Fe impurities in graphene nanoribbons.
Using the generalized gradient approximation to exchange and correlation, we perform density functional calculations on an Fe atom at a single vacancy of graphene nanoribbons. Our results show that, after relaxation, the Fe atom is magnetic, in contrast to the behavior recently found for Fe at a single vacancy of the graphene sheet.
Departamento de Física de la Materia Condensada, Facultad de Física, Universidad de Santiago de Compostela, E-15782 Santiago de Compostela, Spain.
R C
RC
Longo
J
J
Carrete
L J
LJ
Gallego
D006108:Graphite / Q000737:chemistry*; D007501:Iron / Q000737:chemistry*; D008280:Magnetics; D037742:Nanotubes, Carbon / Q000737:chemistry*; D011789:Quantum Theory
D037742:Nanotubes, Carbon; D006108:Graphite; D007501:Iron