Two-dimensional elasticity determines the low-frequency dynamics of single- and double-walled carbon nanotubes

TL;DR

This paper introduces a novel 2D continuous elasticity theory for carbon nanotubes, predicting new vibrational behaviors and improving the understanding of their low-frequency dynamics for better characterization.

Contribution

It develops a 2D elastic model for nanotubes that captures unique vibrational properties and relates single- and double-walled nanotube modes more accurately than previous models.

Findings

Predicts new sound dispersion relations.

Provides better fit to Raman spectroscopy data.

Establishes relations between SWCNT and DWCNT vibrational modes.

Abstract

We develop a continuous theory of low-frequency dynamics for nanotubes with truly two-dimensional (2D) walls constituted by single-atom monolayer. In this frame topological bending elasticity of the monolayer is not related to its vanishing macroscopic thickness. The proposed approach predicts completely new sound dispersions and radius dependences of non-resonant Raman-active modes frequencies in single-walled carbon nanotubes (SWCNT). Resulting relations are suitable for nanotubes identification and more complete or alternative characterization. The theory is also applied to describe the low-frequency dynamics of double-walled carbon nanotubes (DWCNT). It establishes a clear-cut relation between the radial breathing mode in SWCNT and breathing-like modes in DWCNT and fits the existing Raman data better than previously developed 3D continuous or discrete models. The results obtained constitute the basis for new quantitative studies of the low-frequency vibrational spectrum, heat capacity and heat transfer properties of carbon nanotubes.