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  • Maslyuk, Volodymyr V., et al. (author)
  • Organometallic benzene-vanadium wire : A one-dimensional half-metallic ferromagnet
  • 2006
  • In: Physical Review Letters. - 0031-9007 .- 1079-7114. ; 97:9, s. 097201-
  • Journal article (peer-reviewed)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 V-n(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.
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Type of publication
journal article (1)
Type of content
peer-reviewed (1)
Author/Editor
Brandbyge, Mads (1)
Arnold, Andreas (1)
Meded, Velimir (1)
Mertig, Ingrid (1)
Maslyuk, Volodymyr V ... (1)
Bagrets, Alexei (1)
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Evers, Ferdinand (1)
Bredow, Thomas (1)
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University
Uppsala University (1)
Language
English (1)
Research subject (UKÄ/SCB)
Natural sciences (1)
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