Strain-induced changes in the band gap of doped carbon nanotubes

Research paper by O. S. Lebedeva, N. G. Lebedev

Indexed on: 05 Nov '14Published on: 05 Nov '14Published in: Russian Journal of Physical Chemistry B


The results of a theoretical research into the band gap of strained doped carbon nanotubes of two structural modifications of the “armchair” and “zigzag” types are described. The electronic states in the doped nanotubes are considered in terms of the periodic Anderson model. Nitrogen and boron atoms are selected as donor and acceptor substitutional defects, respectively. The dependences of the band gap of the carbon nanotubes on impurity concentration and compressive and tensile strain are studied.