Authors: A. Svizhenko, A. Maiti and M.P. Anantram
Affilation: NASA Ames Research Center, United States
Pages: 314 - 317
Keywords: nanotube, molecular dynamics, tight-binding, Green’s function, sensor
A combination of large scale classical force-field (UFF), density functional theory (DFT) and tight-binding Green’s function transport calculations is used to study the electronic properties of carbon nanotubes under the twist, bending and AFM-tip deformation. We found that in agreement with experiment a significant change in electronic conductance can be induced by AFM-tip deformation of metallic zigzag tubes and by twist deformation of armchair tubes. The effect is explained in terms of bandstructure change under deformation. followed by a simple p-orbital analysis of nanotube bandstructure under deformation.