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Atomistic quantum transport modeling of metal-graphene nanoribbon heterojunctions

We calculate quantum transport for metal-graphene nanoribbon heterojunctions within the atomistic self-consistent Schrödinger/Poisson scheme. Attention is paid on both the chemical aspects of the interface bonding as well the one-dimensional electrostatics along the ribbon length. Band-bending and doping effects strongly influence the transport properties, giving rise to conductance asymmetries and a selective suppression of the subband formation. Junction electrostatics and p-type characteristics drive the conduction mechanism in the case of high work function Au, Pd and Pt electrodes, while contact resistance becomes dominant in the case of Al.

preprint2010arXivOpen access
I. DeretzisG. FioriG. IannacconeA. La Magna
cond-mat.mes-hallcond-mat.mtrl-sci
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I. DeretzisG. FioriG. IannacconeA. La Magna

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