title: Electronic structure and transport properties of monatomic Fe chains in a vacuum and anchored to a graphene nanoribbon.
abstract: The electronic  structure and transport properties of monatomic Fe wires of different characteristics are studied within the density functional theory. In both equidistant and dimerized (more stable) isolated wires, magnetism plays an important role since it leads to different shapes of the transmission coefficients for each spin component. In equidistant wires, electron localization around the Fermi level leads to symmetry breaking between d(xy) and d(x(2)-y(2)) bands. The main effect of the structural dimerization is to decrease the number of channels available for the minority spin component. When anchored to the edges of a graphene nanoribbon, the dimerization of the chain is preserved, despite the hybridization of the d states of Fe with the C atoms which gives way to a reduction in the number of d channels around the Fermi level. Most conduction is then led by an electronic channel from the ribbon and the sp(z) bands from the Fe wires. Suggestions to improve the spintronic ability of Fe wires are proposed.
authors.affiliation: Laboratoire de Magnétisme de Bretagne, FRE CNRS 3137 Université de Bretagne Occidentale, 6 Avenue Victor Le Gorgeu, F-29285 Brest Cedex, France.
authors.forename: N B
authors.initials: NB
authors.lastname: Nguyen
authors.forename: A
authors.initials: A
authors.lastname: García-Fuente
authors.forename: A
authors.initials: A
authors.lastname: Lebon
authors.forename: L J
authors.initials: LJ
authors.lastname: Gallego
authors.forename: A
authors.initials: A
authors.lastname: Vega