García-Fuente, Amador Gallego, L. J. Vega, A. 2015-04-10 By means of density-functional-theoretic calculations, we investigated the structural, electronic and transport properties of hydrogen-passivated zigzag graphene nanoribbons (ZGNRs) on which a one-atom-thick Mo chain was adsorbed (with or without one or two missing atoms), or in which the passivating hydrogen atoms were replaced by Mo atoms. Mo-passivated ZGNRs proved to be nonmagnetic. ZGNRs with an adsorbed defect-free Mo chain were most stable with the Mo atoms forming dimers above edge bay sites, which suppressed the magnetic moments of the C atoms in that half of the ribbon; around the Fermi level of these systems, each spin component had a transmission channel via the Mo spz band and one had an additional channel created by polarization of the ZGNR π* band, leading to a net spin current. The absence of an Mo dimer from an Mo chain adsorbed at the ZGNR edge made the system a perfect spin filter at low voltage bias by suppressing the Mo spz band channels. Thus this last kind of hybrid system is a potential spin valve. application/pdf https://folia.unifr.ch/global/documents/304290 https://folia.unifr.ch/documents/304290/files/gar_scf.pdf eng info:eu-repo/semantics/altIdentifier/doi/10.1088/0953-8984/27/13/135301 info:eu-repo/semantics/openAccess License undefined Journal of Physics: Condensed Matter. - 2015, vol. 27, no. 13, p. 135301 info:eu-repo/classification/udc/53 Spin currents and filtering behavior in zigzag graphene nanoribbons with adsorbed molybdenum chains http://purl.org/coar/resource_type/c_6501