Raman signature to identify the structural transition of single-wall carbon nanotubes under high pressure

Raman spectra of single-walled carbon nanotubes (SWNTs) with diameters of 0.6–1.3 nm have been studied under high pressure. A “plateau” in the pressure dependence of the G-band frequencies was observed in all experiments, both with and without pressure transmission medium. Near the onset of the G-band plateau, the corresponding radial breathing mode (RBM) lines become very weak. A strong broadening of the full width at half maximum of the RBMs just before the onset of the G-band plateau suggests that a structural transition starts in the SWNTs. Raman spectra from SWNTs released from different pressures also indicate that a significant structural transition occurs during the G-band plateau process. Simulations of the structural changes and the corresponding Raman modes of a nanotube under compression show a behavior similar to the experimental observations. Based on the experimental results and the theoretical simulation, a detailed model is suggested for the structural transition of SWNTs, corresponding to the experimentally obtained Raman results in the high-pressure domain.