The effect of Tri- and Tetra-vacancies defects on the electronic and vibrational properties of (14,5) chiral carbon nanotube

In this theoretical work, using the spectral moment's method and the bond polarisability model, the non-resonant Raman spectra of (14,5) chiral carbon nanotube with Tri- and Tetra-vacancies defects were calculated. The evolution of the Raman lines of defectives CNTs as a function of the defects concentration was discussed. It is observed that, the Raman spectra of defective carbon nanotubes present the D-band around 1350 cm-1. The Raman characteristics modes of TriV and TetraV defects are identified. The evolution of the electronic density of states as a function of the defects concentration was investigated. This study can provide benchmark to understand the experimental data of defective CNTs.