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Contact resistance between metal and carbon nanotube interconnects: Effect of work function and wettability Appl. Phys. Lett. 95, 264103 (2009); 10.1063/1.3255016 Realistic adsorption geometries and binding affinities of metal nanoparticles onto the surface of carbon nanotubes Appl. Phys. Lett. 94, 073105 (2009); 10.1063/1.3083548 Structural, wetting, and electronic properties of metal clusters adsorbed on carbon nanotubes High temperature resistance of small diameter, metallic single-walled carbon nanotube devices Appl. Phys. Lett. 92, 083506 (2008);

The contact resistance (R(c)) between graphene and metal electrodes is of crucial importance for achieving potentially high performances for graphene devices. However, previous analytical models based on Landauer's approach have failed to include the Fermi velocity difference between the graphene under the metal and the pure graphene channel. Hereby we report a theoretical model to estimate the R(c) using density-functional theory and non-equilibrium Green's function methods. Our model not only presents a clear physical picture of the metal-graphene contacts, but also generates R(c) values which are in good agreement with the experimental results: 210 Ω μm for double-sided Pd contacts compared with 403 Ω μm for single-sided Pd contact.

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Schottky barrier (SB) formation at the contact interface between metal and semiconducting carbon nanotubes (CNTs) is of great importance in determining the transport characteristics of a CNT field effect transistor. In this paper, we studied the SB height (SBH) between different metals and CNT contacts using first-principles calculation. A method to calculate SBH is proposed based on the interface dipole effect, which will induce an electrical potential variation at the metal and CNT interface. The SBH of a metal and CNT contact could then be determined by the work function difference between the metal and CNT and the electrical potential variation. We extensively investigated different contacts between Sc, Al, Pd, (8,0) CNT, and (11,0) CNT. The calculated SBHs for these contacts are all in good agreement with experimental results.

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