Sökning: onr:"swepub:oai:DiVA.org:uu-155262" >
Organometallic benz...
Organometallic benzene-vanadium wire : A one-dimensional half-metallic ferromagnet
-
Maslyuk, Volodymyr V. (författare)
-
Bagrets, Alexei (författare)
-
- Meded, Velimir (författare)
- Uppsala universitet,Fysiska institutionen
-
visa fler...
-
Arnold, Andreas (författare)
-
Evers, Ferdinand (författare)
-
Brandbyge, Mads (författare)
-
Bredow, Thomas (författare)
-
Mertig, Ingrid (författare)
-
visa färre...
-
(creator_code:org_t)
- 2006
- 2006
- Engelska.
-
Ingår i: Physical Review Letters. - 0031-9007 .- 1079-7114. ; 97:9, s. 097201-
- Relaterad länk:
-
https://urn.kb.se/re...
-
visa fler...
-
https://doi.org/10.1...
-
visa färre...
Abstract
Ämnesord
Stäng
- 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.
Ämnesord
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Nyckelord
- Physics
- Fysik
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
Hitta via bibliotek
Till lärosätets databas