Computer simulation of the electron beam irradiation effect on the modification of carbon nanotubes

The scientific goal of the present work is to study how carbon nanotube's (CNT) physical properties (electron structure including band gap, atomic structure, transport and emission characteristics) are transformed under the electron beam irradiation and depend on the concentration and type of defects induced by the beam. In particular, we have established how these properties can be modified in a controlled way so as to allow the radiation induced creation of heterostructures and fabrication tunneling barriers for the single electron transistor in the single- or multi-walled CNT. Theoretical description of the above mentioned subjects, processes and corresponding calculations are based on the PM3 approximation, density functional theory and tight-binding models.