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.
Bibliographical noteCopyright 2007 American Physical Society
- SANDWICH CLUSTERS
- MOLECULAR SPINTRONICS
- COHERENT TRANSPORT
Koleini, M., Paulsson, M., & Brandbyge, M. (2007). Efficient organometallic spin filter between single-wall carbon nanotube or graphene electrodes. Physical Review Letters, 98(19), 197202. https://doi.org/10.1103/PhysRevLett.98.197202