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.
Journal: TechConnect Briefs
Volume: 2, Technical Proceedings of the 2002 International Conference on Computational Nanoscience and Nanotechnology
Published: April 22, 2002
Pages: 314 - 317
Industry sectors: Advanced Materials & Manufacturing | Sensors, MEMS, Electronics