Influence of Impurities and Defects on Electronic Structure of Carbon Nanotubes

摘要

The influence of vacancies and defects on equilibrium configuration and electronic structure of single-wall carbon nanotubes is investigated. In the framework of semi-empirical PM3-method the IR and UV absorption spectra of fragment (12, 0)-tube C_(192) and of the same fragment with the vacancies of simplest kinds and with Stone-Wales defect are calculated.