Atomic-scale model for the contact resistance of the nickel-graphene interface

Abstract

We perform first-principles calculations of electron transport across a nickel-graphene interface. Four different geometries are considered, where the contact area, graphene and nickel surface orientations and the passivation of the terminating graphene edge are varied. We find covalent bond formation between the graphene layer and the nickel surface, in agreement with other theoretical studies. We calculate the energy-dependent electron transmission for the four systems and find that the systems have very similar edge contact resistance, independent of the contact area between nickel and graphene, and in excellent agreement with recent experimental data. A simple model where graphene is bonded with a metal surface shows that the results are generic for covalently bonded graphene, and the minimum attainable edge contact resistance is twice the ideal edge quantum contact resistance of graphene.

arXiv comment12 pages, 6 figures

References in corpus (12)

• Density functional method for nonequilibrium electron transport
• First-principles study of the interaction and charge transfer between graphene and metals
• Graphene field-effect-transistors with high on/off current ratio and large transport band gap at room temperature
• Contact resistivity and current flow path at metal/graphene contact
• Contact resistance in graphene-based devices
• Dispersive and Covalent Interactions Between Graphene and Metal Surfaces from the Random Phase Approximation
• Influence of metal contacts and charge inhomogeneity on transport properties of graphene near the neutrality point
• Efficient implementation of the nonequilibrium Green function method for electronic transport calculations
• Semi-Empirical Model for Nano-Scale Device Simulations
• Effects of metallic contacts on electron transport through graphene
• First principles study of electronic transport through a Cu(111)|graphene junction
• Electronic Properties of Clean Au-Graphene Contacts

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• Inorganic photovoltaic cells based on BiFeO3: spontaneous polarization, lattice matching, light polarization and their relationship to photovoltaic performance
• Effects of metallic electrodes on the thermoelectric properties of zigzag graphene nanoribbons with periodic vacancies