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Novel one-dimensional organometallic half metals: vanadium-cyclopentadienyl, vanadium-cyclopentadienyl-benzene, and vanadium-anthracene wires.

Novel one-dimensional organometallic half metals: vanadium-cyclopentadienyl,... By using the density functional theory, we find that organometallic multidecker sandwich clusters V(2 n+1)Cp(2 n+2), Vn(FeCp2)(n+1) (Cp=cyclopentadienyl), and V(2n)Ant(n+1) (Ant=anthracene) may have linear structures, and their total magnetic moments generally increase with the cluster size. The one-dimensional (VCp)infinity, (VBzVCp)infinity (Bz=benzene), and (V2Ant)infinity wires are predicted to be ferromagnetic half-metals, while the one-dimensional (VCpFeCp)infinity wire is a ferromagnetic semiconductor. The spin transportation calculations show that the finite V2(n+1)Cp2(n+2) and Vn(FeCp2)(n+1) sandwich clusters coupled to gold electrodes are nearly perfect spin-filters. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Nano Letters Pubmed

Novel one-dimensional organometallic half metals: vanadium-cyclopentadienyl, vanadium-cyclopentadienyl-benzene, and vanadium-anthracene wires.

Novel one-dimensional organometallic half metals: vanadium-cyclopentadienyl, vanadium-cyclopentadienyl-benzene, and vanadium-anthracene wires.


Abstract

By using the density functional theory, we find that organometallic multidecker sandwich clusters V(2 n+1)Cp(2 n+2), Vn(FeCp2)(n+1) (Cp=cyclopentadienyl), and V(2n)Ant(n+1) (Ant=anthracene) may have linear structures, and their total magnetic moments generally increase with the cluster size. The one-dimensional (VCp)infinity, (VBzVCp)infinity (Bz=benzene), and (V2Ant)infinity wires are predicted to be ferromagnetic half-metals, while the one-dimensional (VCpFeCp)infinity wire is a ferromagnetic semiconductor. The spin transportation calculations show that the finite V2(n+1)Cp2(n+2) and Vn(FeCp2)(n+1) sandwich clusters coupled to gold electrodes are nearly perfect spin-filters.

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ISSN
1530-6984
DOI
10.1021/nl8016016
pmid
18816146

Abstract

By using the density functional theory, we find that organometallic multidecker sandwich clusters V(2 n+1)Cp(2 n+2), Vn(FeCp2)(n+1) (Cp=cyclopentadienyl), and V(2n)Ant(n+1) (Ant=anthracene) may have linear structures, and their total magnetic moments generally increase with the cluster size. The one-dimensional (VCp)infinity, (VBzVCp)infinity (Bz=benzene), and (V2Ant)infinity wires are predicted to be ferromagnetic half-metals, while the one-dimensional (VCpFeCp)infinity wire is a ferromagnetic semiconductor. The spin transportation calculations show that the finite V2(n+1)Cp2(n+2) and Vn(FeCp2)(n+1) sandwich clusters coupled to gold electrodes are nearly perfect spin-filters.

Journal

Nano LettersPubmed

Published: Dec 24, 2008

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