Nonresonant Raman spectrum in infinite and finite single-wall carbon nanotubes

Rahmani, A.; Sauvajol, Jean‐Louis; Rols, S.; Benoît, C.

doi:10.1103/physrevb.66.125404

Cited by 80 publications

(110 citation statements)

References 30 publications

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“…In a first approximation, the TM profile can be fitted by using three Lorentzians. In agreement with recent calculations [18] be assigned to a mixing of the E modes of the inner tubes (the lowest frequency modes calculated in DWCNT [18]) and the E mode of the outer tubes (E 1 or E 2 modes as function of the chirality angle [19]). at 514.5 nm to 158 cm −1 at 633 nm [20]).…”

Section: Methodssupporting

confidence: 91%

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Raman spectroscopy of iodine-doped double-walled carbon nanotubes

et al. 2004

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We present a Raman spectroscopy study of iodine-intercalated (p-type doped) double-walled carbon nanotubes. Double-walled carbon nanotubes (DWCNTs) are synthesized by catalytic chemical vapor deposition (CCVD) and characterized by Raman spectroscopy. The assignment of the radial breathing modes and the tangential modes of pristine DWCNTs is done in the framework of the bond polarization theory, using the spectral moment method. The changes in the Raman spectrum upon iodine doping are analysed. Poly-iodine anions are identified, and the Raman spectra reveal that the charge transfer between iodine and DWCNTs only involves the outer tubes.

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Section: Methodssupporting

confidence: 91%

“…The values of the Lennard-Jones parameters are kept fixed at ǫ= 2.964 meV and σ = 3.407Å [19]. The main conclusions of these calculations are summerized below.…”

Section: Methodsmentioning

confidence: 99%

Raman spectroscopy of iodine-doped double-walled carbon nanotubes

et al. 2004

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“…The Greek characters denote the Cartesian components (x,y,z). The coefficients π n αγ,δ connect the polarization fluctuations to the atomic motions 19,20 and they are obtained by expanding the polarizability tensor π n in terms of atomic displacements u n δ , with…”

Section: Methodsmentioning

confidence: 99%

Signature of small rings in the Raman spectra of normal and compressed amorphous silica: A combined classical andab initiostudy

2003

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We calculate the parallel (VV) and perpendicular (VH) polarized Raman spectra of amorphous silica. Model SiO2 glasses, uncompressed and compressed, were generated by a combination of classical and ab initio molecular-dynamics simulations and their dynamical matrices were computed within the framework of the density functional theory. The Raman scattering intensities were determined using the bond-polarizability model and a good agreement with experimental spectra was found. We confirm that the modes associated to the fourfold and threefold rings produce most of the Raman intensity of the D1 and D2 peaks, respectively, in the VV Raman spectra. Modifications of the Raman spectra upon compression are found to be in agreement with experimental data. We show that the modes associated to the fourfold rings still exist upon compression but do not produce a strong Raman intensity, whereas the ones associated to the threefold rings do. This result strongly suggests that the area under the D1 and D2 peaks is not directly proportional to the concentration of small rings in amorphous SiO2.

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“…The diagonalization fails or requires long computing time when the system contains a large number of atoms, as for a long C 60 and C 70 chains inside nanotubes. By contrast, the spectral moment's method allows computing directly the Raman responses of harmonic systems without any diagonalization of the dynamical matrix [28,29]. In the case of C 60 and C 70 peapods, calculations of the Raman spectra of peapods showed that approximately 500 moments are sufficient to obtain good results for larger samples (~25,000 degrees of freedom).…”

Section: The Spectral Moment's Methodsmentioning

confidence: 99%

Structural and Vibrational Properties of C60 and C70 Fullerenes Encapsulating Carbon Nanotubes

Chadli¹,

Fergani²,

Rahmani³

2018

Fullerenes and Relative Materials - Properties and Applications

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Carbon nanotubes (CNTs) can encapsulate small and large molecules, including C 60 and C 70 fullerenes (so-called carbon peapods). The challenge for nanotechnology is to achieve perfect control of nanoscale-related properties, which requires correlating the parameters of synthesis process with the resulting nanostructure. For that purpose, note every conventional characterization technique is suitable, but Raman spectroscopy has already proven to be. First, the different possible configurations of C 60 and C 70 molecules inside CNTs are reviewed. Therefore, the following changes of properties of the empty nanotubes, such as phonon modes, induced by the C 60 and C 70 filling inside nanotube are presented. We also briefly review the concept of Raman spectroscopy technique that provides information on phonon modes in carbon nanopeapods. The dependencies of the Raman spectrum as a function of nanotube diameter and chirality, fullerene molecules configuration and the filling level are identified and discussed. The experimental Raman spectra of fullerenes and fullerenes peapods are discussed in the light of theoretical calculation results. Finally, the variation of the average intensity ratio between C 60 and C 70 Raman-active modes and the nanotube ones, as a function of the concentration molecules, are analyzed, and a general good agreement is found between calculations and measurements.

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Nonresonant Raman spectrum in infinite and finite single-wall carbon nanotubes

Cited by 80 publications

References 30 publications

Raman spectroscopy of iodine-doped double-walled carbon nanotubes

Raman spectroscopy of iodine-doped double-walled carbon nanotubes

Signature of small rings in the Raman spectra of normal and compressed amorphous silica: A combined classical andab initiostudy

Structural and Vibrational Properties of C60 and C70 Fullerenes Encapsulating Carbon Nanotubes

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