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Phonon dispersion and quantization tuning of strained carbon nanotubes for flexible electronics

Graphene and carbon nanotubes are materials with large potentials for applications in flexible electronics. Such devices require a high level of sustainable strain and an understanding of the materials electrical properties under strain. Using supercell theory in conjunction with a comprehensive molecular mechanics model, the full band phonon dispersion of carbon nanotubes under uniaxial strain is studied. The results suggest an overall phonon softening and open up the possibility of phonon quantization tuning with uniaxial strain. The change in phonon quantization and the resulting increase in electron-phonon and phonon-phonon scattering rates offer further explanation and theoretical basis to the experimental observation of electrical properties degradation for carbon nanotubes under uniaxial strain.