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Maslyuk, Volodymyr V. ; Bagrets, Alexei ; Meded, Velimir ; Arnold, Andreas ; Evers, Ferdinand ; Brandbyge, Mads ; Bredow, Thomas ; Mertig, Ingrid

Organometallic Benzene-Vanadium Wire: A One-Dimensional Half-Metallic Ferromagnet

Article

Maslyuk, Volodymyr V., Bagrets, Alexei, Meded, Velimir, Arnold, Andreas, Evers, Ferdinand , Brandbyge, Mads, Bredow, Thomas and Mertig, Ingrid (2006) Organometallic Benzene-Vanadium Wire: A One-Dimensional Half-Metallic Ferromagnet. Physical Review Letters 97 (9), 097201.

DOI to cite this document: 10.5283/epub.46221


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 ...

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.



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Details

Item typeArticle
Journal or Publication TitlePhysical Review Letters
PublisherAmerican Physical Society (APS)
Open Access TypeDue to SHERPA/RoMEO
Volume97
Number of Issue or Book Chapter9
Page Range097201
Date30 August 2006
Date of publication05 Jul 2021 09:43
InstitutionsPhysics > Institute of Theroretical Physics > Chair Ferdinand Evers
Identification Number
ValueType
10.1103/PhysRevLett.97.097201DOI
Dewey Decimal Classification500 Science > 530 Physics
StatusPublished
RefereedYes, this version has been refereed
Created at the University of RegensburgNo
URN of the UB Regensburgurn:nbn:de:bvb:355-epub-462217
Item ID46221

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