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Organometallic benz...
Organometallic benzene-vanadium wire : A one-dimensional half-metallic ferromagnet
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Maslyuk, Volodymyr V. (author)
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Bagrets, Alexei (author)
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- Meded, Velimir (author)
- Uppsala universitet,Fysiska institutionen
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Arnold, Andreas (author)
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Evers, Ferdinand (author)
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Brandbyge, Mads (author)
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Bredow, Thomas (author)
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Mertig, Ingrid (author)
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(creator_code:org_t)
- 2006
- 2006
- English.
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In: Physical Review Letters. - 0031-9007 .- 1079-7114. ; 97:9, s. 097201-
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Subject headings
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- 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.
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Keyword
- Physics
- Fysik
Publication and Content Type
- ref (subject category)
- art (subject category)
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