Shtogun Y.V., Woods L.M.
University of South Florida, US
Keywords: carbon nanotubes, Defects, DFT, electric field, TB calculations
Our tight-binding results show that energy gap modulations of radially deformed carbon nanotubes by external electric field can be achieved using various field amplitudes and field orientations, and deformation strengths, thus proving many more capabilities for experimental application of carbon nanotubes in nanoelectronic devices. The density functional theory calculations reveal that the combined effect of various degrees of radial deformation and the different type of mechanical defects (Stone-Wales, vacancy, and impurities) present on nanotubes surface, and the defect location have a big impact on band-gap electronic structure changes.
Journal: TechConnect Briefs
Volume: 1, Nanotechnology 2008: Materials, Fabrication, Particles, and Characterization – Technical Proceedings of the 2008 NSTI Nanotechnology Conference and Trade Show, Volume 1
Published: June 1, 2008
Pages: 108 - 111
Industry sector: Advanced Materials & Manufacturing
Topic: Carbon Nano Structures & Devices
ISBN: 978-1-4200-8503-7