Abstract
Pseudo-potential method under frame work of density functional perturbation theory (DFPT) has been utilized to calculate the phonon spectrum, phonon DOS, specific heat capacity and mechanical properties of narrow armchair and zigzag single walled carbon nanotubes (SWCNTs). Our calculations show that although their Young modulus are about 1TPa, but armchair SWCNTs have greater compressive modulus than the zigzag tubes while the situation would be vice versa for tensile modulus. On the other hand, it was found out that specific heat capacity of narrow tubes shows chirality independence and decreases by increasing the radius of nanotube whereas, this is not the case for the wider ones. In addition, chirality dependence of the radial breadth mode (RBM) frequency of narrow SWCNTs has been shown.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
