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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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| Item type | Article | ||||
| Journal or Publication Title | Physical Review Letters | ||||
| Publisher | American Physical Society (APS) | ||||
| Open Access Type | Due to SHERPA/RoMEO | ||||
| Volume | 97 | ||||
| Number of Issue or Book Chapter | 9 | ||||
| Page Range | 097201 | ||||
| Date | 30 August 2006 | ||||
| Date of publication | 05 Jul 2021 09:43 | ||||
| Institutions | Physics > Institute of Theroretical Physics > Chair Ferdinand Evers | ||||
| Identification Number |
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| Dewey Decimal Classification | 500 Science > 530 Physics | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | No | ||||
| URN of the UB Regensburg | urn:nbn:de:bvb:355-epub-462217 | ||||
| Item ID | 46221 |
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