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Organometallic Benzene-Vanadium Wire: A One-Dimensional Half-Metallic Ferromagnet
Maslyuk, Volodymyr V., Bagrets, Alexei, Meded, Velimir, Arnold, Andreas, Evers, Ferdinand
, Brandbyge, Mads, Bredow, Thomas und Mertig, Ingrid
(2006)
Organometallic Benzene-Vanadium Wire: A One-Dimensional Half-Metallic Ferromagnet.
Physical Review Letters 97 (9), 097201.
Veröffentlichungsdatum dieses Volltextes: 05 Jul 2021 09:43
Artikel
DOI zum Zitieren dieses Dokuments: 10.5283/epub.46221
Zusammenfassung
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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| Dokumentenart | Artikel | ||||
| Titel eines Journals oder einer Zeitschrift | Physical Review Letters | ||||
| Verlag: | American Physical Society (APS) | ||||
|---|---|---|---|---|---|
| Band: | 97 | ||||
| Nummer des Zeitschriftenheftes oder des Kapitels: | 9 | ||||
| Seitenbereich: | 097201 | ||||
| Datum | 30 August 2006 | ||||
| Institutionen | Physik > Institut für Theoretische Physik > Lehrstuhl Ferdinand Evers | ||||
| Identifikationsnummer |
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| Dewey-Dezimal-Klassifikation | 500 Naturwissenschaften und Mathematik > 530 Physik | ||||
| Status | Veröffentlicht | ||||
| Begutachtet | Ja, diese Version wurde begutachtet | ||||
| An der Universität Regensburg entstanden | Nein | ||||
| URN der UB Regensburg | urn:nbn:de:bvb:355-epub-462217 | ||||
| Dokumenten-ID | 46221 |
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