Abstract
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.
Original language | English |
---|---|
Journal | Physical Review Letters |
Volume | 98 |
Issue number | 19 |
Pages (from-to) | 197202 |
ISSN | 0031-9007 |
DOIs | |
Publication status | Published - 2007 |
Bibliographical note
Copyright 2007 American Physical SocietyKeywords
- MAGNETISM
- SANDWICH CLUSTERS
- MOLECULAR SPINTRONICS
- COHERENT TRANSPORT
- CHAIN