Raman spectra of C60 dimer and C60 polymer confined inside a (10, 10) single-walled carbon nanotube

Abstract

A new set of C-C interball force constant was developed in order to reproduce the low wavenumber density of states measured by neutron scattering and the Raman spectra of the C(60) dimer and C(60) polymer chain. The nonresonant Raman spectra of the C(60) dimer and C(60) polymer confined inside a (10, 10) single-walled carbon nanotube were calculated in the framework of the bond-polarization theory by using the spectral moments method. The main changes of the Raman spectrum as a function of the organization of the C(60) molecules inside the nanotubes were identified. We found that the radial breathing modes of a (10, 10) single-walled carbon nanotube are more sensitive on the structure of the C(60) molecules than the G-modes. These predictions are useful to interpret the experimental Raman spectrum of fullerene peapods.