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The vibrational modes of some single wall carbon nanotube (SWNT)intramolecular junctions (IMJs) have been calculated using the newest Brennerreactive empirical bond order (REBO) potential, based upon which theirnonresonant Raman spectra have been further calculated using the empirical bondpolarizability model. It is found that the Raman peaks induced by pentagondefects lie out of the $G$-band of the SWNTs, so the high-frequency part of theRaman spectra of the SWNT IMJs can be used to determine experimentally theirdetailed geometrical structures. Also, the intensity of the Raman spectra has aclose relation with the number of pentagon defects in the SWNT IMJs. Followingthe Descartes-Euler Polyhedral Formula (DEPF), the number of heptagon defectsin the SWNT IMJs can also be determined. The first-principle calculations arealso performed, verifying the results obtained by the REBO potential. The $G$band width of the SWNT IMJ can reflect the length of its transition regionbetween the pentagon and heptagon rings.

Raman characteristic peaks induced by the topological defects of Carbon Nanotube Intramolecular Junction