Chemical Physics Letters, Vol.679, 45-51, 2017
Raman intensity and vibrational modes of armchair CNTs
Raman intensity changes and frequency patterns have been studied using the various armchair (n, n) to understand the variations of bond polarizability, in regard to changing diameters, lengths, and the number of atoms in the (n, n). The Raman intensity trends of the (n, n) are validated by those of C-n isomers. For frequency trends, similar frequency patterns and frequency inward shifts for the (n, n) are characterized. Also, VDOS trends of the (n, n) expressing Raman modes are interpreted. The decomposition of vibrational modes in the (n, n) into radial, longitudinal, and tangential mode is beneficially used to recognize the distinct characteristics of vibrational modes. (C) 2017 Elsevier B.V. All rights reserved.
Keywords:Bond polarizability change;sigma - pi hybridizations;Structural distortion;Edge effect;Vibrational density of state (VDOS)