Publication: Research - peer-review › Journal article – Annual report year: 2007
We present a theoretical study of spin transport in a class of molecular systems consisting of an organometallic benzene-vanadium cluster placed in between graphene or single-wall carbon-nanotube-model contacts. Ab initio modeling is performed by combining spin density functional theory and nonequilibrium Green's function techniques. We consider weak and strong cluster-contact bonds. Depending on the bonding we find from 73% (strong bonds) up to 99% (weak bonds) spin polarization of the electron transmission, and enhanced polarization with increased cluster length.
|Journal||Physical Review Letters|
|State||Published - 2007|
Copyright 2007 American Physical Society
|Citations||Web of Science® Times Cited: No match on DOI|
- MAGNETISM, SANDWICH CLUSTERS, MOLECULAR SPINTRONICS, COHERENT TRANSPORT, CHAIN
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