Impact of edge shape on the functionalities of graphene-based single-molecule electronics devices
arXiv:1202.2699 · doi:10.1103/PhysRevB.85.195434
Abstract
We present an ab-initio analysis of the impact of edge shape and graphene-molecule anchor coupling on the electronic and transport functionalities of graphene-based molecular electronics devices. We analyze how Fano-like resonances, spin filtering and negative differential resistance effects may or may not arise by modifying suitably the edge shapes and the terminating groups of simple organic molecules. We show that the spin filtering effect is a consequence of the magnetic behavior of zigzag-terminated edges, which is enhanced by furnishing these with a wedge shape. The negative differential resistance effect is originated by the presence of two degenerate electronic states localized at each of the atoms coupling the molecule to graphene which are strongly affected by a bias voltage. The effect could thus be tailored by a suitable choice of the molecule and contact atoms if edge shape could be controlled with atomic precision.
11 pages, 20 figures
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Cited by in corpus (8)
- Spin-State dependent Conductance Switching in Single Molecule-Graphene Junctions
- Sequential electron transport and vibrational excitations in an organic molecule coupled to few-kayer graphene electrodes
- Edge state effects in junctions with graphene electrodes
- Universality in the transport response of molecular wires physisorbed onto graphene electrodes
- Non-equilibrium transport response from equilibrium transport theory
- Spin signatures in the electrical response of graphene nanogaps
- Electron Transport in Molecular Junctions with Graphene as Protecting Layer
- Electronics without bridging components