title: Organometallic benzene-vanadium wire: A one-dimensional half-metallic ferromagnet.
abstract: Using density functional theory we perform theoretical investigations of the electronic properties of a freestanding one-dimensional organometallic vanadium-benzene wire. This system represents the limiting case of multidecker Vn(C6H6)(n+1) clusters which can be synthesized with established methods. We predict that the ground state of the wire is a 100% spin-polarized ferromagnet (half-metal). Its density of states is metallic at the Fermi energy for the minority electrons and shows a semiconductor gap for the majority electrons. We find that the half-metallic behavior is conserved up to 12% longitudinal elongation of the wire. Ab initio electron transport calculations reveal that finite size vanadium-benzene clusters coupled to ferromagnetic Ni or Co electrodes will work as nearly perfect spin filters.
authors.affiliation: Martin-Luther-Universität Halle-Wittenberg, Fachbereich Physik, D-06099 Halle, Germany.
authors.forename: Volodymyr V
authors.initials: VV
authors.lastname: Maslyuk
authors.forename: Alexei
authors.initials: A
authors.lastname: Bagrets
authors.forename: Velimir
authors.initials: V
authors.lastname: Meded
authors.forename: Andreas
authors.initials: A
authors.lastname: Arnold
authors.forename: Ferdinand
authors.initials: F
authors.lastname: Evers
authors.forename: Mads
authors.initials: M
authors.lastname: Brandbyge
authors.forename: Thomas
authors.initials: T
authors.lastname: Bredow
authors.forename: Ingrid
authors.initials: I
authors.lastname: Mertig