RAMAN-ACTIVE MODES IN DEFECTIVE PEAPOD

Abstract

The vibrational properties of defective single-walled carbon nanotube filled with C 60  fullerene is the subject of the current study. For this aim we use the spectral moments method in the framework of the bond-polarization theory to calculate the nonresonant Raman spectra of hexa-vacancy defective C 60  peapods. Essentially, the vibrational properties are closely coupled with the atomic structure of the system. The evolution of the Raman spectrum as a function of the spatial arrangement of defects in carbon nanotubes is discussed. This work provides benchmark theoretical results to understand the experimental data of defective C 60  peapod.