Radial-breathing mode frequencies for single-walled carbon nanotubes of arbitrary chirality: First-principles calculations

Abstract

First-principles calculations are performed for the radial-breathing mode of all 105 single-walled carbon nanotubes within the rolling-geometry diameter range of $0.4\phantom{\rule{0.3em}{0ex}}\text{to}\phantom{\rule{0.3em}{0ex}}1.4\phantom{\rule{0.3em}{0ex}}\mathrm{nm}$. The diameter dependence of the frequencies is analyzed in some detail, and compared with measurable parameters of bulk graphite. The frequencies are compared with those available from other first-principles work, and experimental studies.