BAND GAP IN THE ELECTRON SPECTRA OF CARBON NANOTUBE OF "ZIGZAG" TYPE
In the framework of the density functional theory, non-empirical calculations of the electronic properties of semiconductor carbon nanotubes (NT) of the «zigzag» type are carried out. Particular attention is paid to the obtained values of band gaps E<sub>g</sub>. A series of semiconductor nanotubes of the «zigzag» type with diameters ranging from 5.59 to 25.17 Å is considered. Our results are compared with the experimental data, as well as with the calculations of other authors, both semi-empirical and ab-initio ones. A new approach to the interpretation of experimental results is proposed. The calculated values of band gaps E<sub>g</sub> match well with the analytical expression given in the paper.