Computer modeling of electronic structure of single-wall carbon nanotubes affected by pressure

In this paper, a principal calculation of the electronic structure of single-wall carbon nanotubes at different pressure values has been performed. The simulations have been done for nanotubes aggregated in ropes. The pressure has been modeled by changing the distances between neighbor nanotubes in the rope. The results of the calculations show that the pressure increase leads to a decrease of energy of allowed optical transitions in nanotubes. This result corresponds to the experimental data published.