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Simulation of lattice strain due to CNT-metal interface
Published
Author(s)
Alexander Y. Smolyanitsky, Vinod K. Tewary
Abstract
We report an atomistic molecular statics study of strains in single wall carbon nanotubes (SWCNTs) interfaced with a planar nickel surface. We calculate axial and radial strain distributions along the SWCNT axis. We demonstrate strains of up to 2% extending over a distance of ~10nm away from the interface. This indicates a possible effect on the CNT-metal contact electrical resistance via local strain-induced modification in the SWCNT electron energy band structure.