The strength of the radial-breathing mode in single-walled carbon nanotubes
M. Machon, S. Reich, H. Telg, J. Maultzsch, P. Ordejon, C. Thomsen
Abstract
We show by ab initio calculations that the electron-phonon coupling matrix element M of the radial breathing mode in single-walled carbon nanotubes depends strongly on tube chirality. For nanotubes of the same diameter the coupling strength |M|2 is up to one order of magnitude stronger for zig-zag than for armchair tubes. For (n,m) tubes M depends on the value of (n-m) mod 3, which allows to discriminate semiconducting nano tubes with similar diameter by their Raman scattering intensity. We show measured resonance Raman profiles of the radial breathing mode which support our theoretical predictions.
Create a lesson
Related papers
Necessary conditions for benchmarking next-generation AI in materials discovery
Daniel E Widdowson, Tatiana V Kurlina, Olga D Anosova et al.
Doubly Metastable Synthesis for Accelerated Quantum Materials Discovery
Kyuho Lee, Berit H. Goodge, Soonhyun Kwon et al.
Phononic Frequency Combs in Twisted Bilayer Transition Metal Dichalcogenide Heterostructures from First Principles
Naman Arora, Adarsh Ganesan
Improved screening of doped ZrO2 catalysts for CO2 hydrogenation from graph-based machine learning
Karsten Walz Jensen, Mie Andersen, Raffaele Cheula
Dislocation mediated twin boundary faceting in β-Sn
John Israel, Ian Chesser, Khanh Dang et al.
Ferroelectric Domain-Wall Motion, Stability, and Frequency Responses under Different Screening-Charge Conservation Laws
Sergei V. Kalinin