Calculation of the Raman spectra of graphene nanoribbon

Using the density functional theory in a local density approximation, Raman spectra of carbon nanoribbons are calcu- lated. It is found that for all the nanoribbons considered by us, there are three active modes: these are the radial breathing mode RBLM in a frequency range of 346-474 cm−1, the loca...

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Bibliographic Details
Main Authors: Sharin, Egor P., Ponomarev, Vladislav V.
Format: Conference Proceeding
Language:English
Subjects:
Density functional theory
Frequency ranges
Graphene
Nanoribbons
Raman spectra
Online Access:Get full text
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Summary:Using the density functional theory in a local density approximation, Raman spectra of carbon nanoribbons are calcu- lated. It is found that for all the nanoribbons considered by us, there are three active modes: these are the radial breathing mode RBLM in a frequency range of 346-474 cm−1, the localized mode in the frequency range of 1449-1462 cm−1 and the graphene-like mode at the frequency of about 1650 cm−1. These active modes can be useful for identification of the various nanoribbons in Raman scattering experiments.
ISSN:0094-243X
1551-7616
DOI:10.1063/5.0042114