Comparative study of the optical properties of single-walled carbon nanotubes within orthogonal and nonorthogonal tight-binding models

Résultats de recherche: Contribution à un journal/une revueArticle

Résumé

The dielectric response function of single-walled carbon nanotubes is calculated within tight-binding models with different levels of complexity. First, the effects of the orbital basis set of the model, the orbitals overlap, and the structural optimization on the electronic band structure and the dielectric function of three small-radius nanotubes are investigated in detail. Second, the optical transition energies for a large number of nanotubes are derived from the peak positions of the imaginary part of the dielectric function for parallel and perpendicular light polarization. These results can be useful for the assignment of absorption spectra of nanotube samples and for the determination of the conditions for resonant Raman scattering from nanotubes. The obtained results are compared to recent spectrofluorimetric data on isolated single-walled carbon nanotubes.

langue originaleAnglais
Nombre de pages12
journalPhysical Review B - Condensed Matter and Materials Physics
Volume70
Numéro de publication11
Les DOIs
étatPublié - 1 sept. 2004

Empreinte digitale

Single-walled carbon nanotubes (SWCN)
Nanotubes
nanotubes
Optical properties
carbon nanotubes
optical properties
orbitals
Optical transitions
Structural optimization
Light polarization
optical transition
Band structure
Raman scattering
Absorption spectra
Raman spectra
absorption spectra
optimization
radii
polarization
electronics

Citer ceci

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abstract = "The dielectric response function of single-walled carbon nanotubes is calculated within tight-binding models with different levels of complexity. First, the effects of the orbital basis set of the model, the orbitals overlap, and the structural optimization on the electronic band structure and the dielectric function of three small-radius nanotubes are investigated in detail. Second, the optical transition energies for a large number of nanotubes are derived from the peak positions of the imaginary part of the dielectric function for parallel and perpendicular light polarization. These results can be useful for the assignment of absorption spectra of nanotube samples and for the determination of the conditions for resonant Raman scattering from nanotubes. The obtained results are compared to recent spectrofluorimetric data on isolated single-walled carbon nanotubes.",
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AB - The dielectric response function of single-walled carbon nanotubes is calculated within tight-binding models with different levels of complexity. First, the effects of the orbital basis set of the model, the orbitals overlap, and the structural optimization on the electronic band structure and the dielectric function of three small-radius nanotubes are investigated in detail. Second, the optical transition energies for a large number of nanotubes are derived from the peak positions of the imaginary part of the dielectric function for parallel and perpendicular light polarization. These results can be useful for the assignment of absorption spectra of nanotube samples and for the determination of the conditions for resonant Raman scattering from nanotubes. The obtained results are compared to recent spectrofluorimetric data on isolated single-walled carbon nanotubes.

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