Corrections to the optical transition energies in single-wall carbon nanotubes of smaller diameters

Georgii G. Samsonidze; Riichiro Saito; Jie Jiang; Alexander Grüneis; Naoki Kobayashi; Ado Jorio; Shin G. Chou; Gene Dresselhaus; Mildred S. Dresselhaus

doi:10.1557/proc-858-hh7.2

Corrections to the optical transition energies in single-wall carbon nanotubes of smaller diameters

Georgii G. Samsonidze, Riichiro Saito, Jie Jiang, Alexander Grüneis, Naoki Kobayashi, Ado Jorio, Shin G. Chou, Gene Dresselhaus, Mildred S. Dresselhaus

SCI - Physics

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

1 Citation (Scopus)

Abstract

Optical spectroscopy characterization of carbon nanotube samples requires accurate determination of their band structure and exciton binding energies. In this paper, we present a non-orthogonal density-functional based tight-binding calculation for the electronic transition energies in single-wall carbon nanotubes. We show that the curvature-induced rehybridization of the electronic orbitals, long-range atomic interactions, and geometrical structure relaxation all have a significant impact on the electronic transition energies in the small diameter limit. After including quasiparticle corrections and exciton binding energies, the calculated electronic transition energies show good agreement with the experimental transition energies observed by photoluminescence and resonance Raman spectroscopy.

Original language	English
Title of host publication	Functional Carbon Nanotubes
Publisher	Materials Research Society
Pages	161-166
Number of pages	6
ISBN (Print)	1558998101, 9781558998100
DOIs	https://doi.org/10.1557/proc-858-hh7.2
Publication status	Published - 2004 Jan 1
Event	2004 MRS Fall Meeting - Boston, MA, United States Duration: 2004 Nov 29 → 2004 Dec 2

Publication series

Name	Materials Research Society Symposium Proceedings
Volume	858
ISSN (Print)	0272-9172

Other

Other	2004 MRS Fall Meeting
Country	United States
City	Boston, MA
Period	04/11/29 → 04/12/2

ASJC Scopus subject areas

Materials Science(all)
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

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Samsonidze, G. G., Saito, R., Jiang, J., Grüneis, A., Kobayashi, N., Jorio, A., Chou, S. G., Dresselhaus, G., & Dresselhaus, M. S. (2004). Corrections to the optical transition energies in single-wall carbon nanotubes of smaller diameters. In Functional Carbon Nanotubes (pp. 161-166). (Materials Research Society Symposium Proceedings; Vol. 858). Materials Research Society. https://doi.org/10.1557/proc-858-hh7.2

Corrections to the optical transition energies in single-wall carbon nanotubes of smaller diameters. / Samsonidze, Georgii G.; Saito, Riichiro; Jiang, Jie; Grüneis, Alexander; Kobayashi, Naoki; Jorio, Ado; Chou, Shin G.; Dresselhaus, Gene; Dresselhaus, Mildred S.

Functional Carbon Nanotubes. Materials Research Society, 2004. p. 161-166 (Materials Research Society Symposium Proceedings; Vol. 858).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Samsonidze, GG, Saito, R, Jiang, J, Grüneis, A, Kobayashi, N, Jorio, A, Chou, SG, Dresselhaus, G & Dresselhaus, MS 2004, Corrections to the optical transition energies in single-wall carbon nanotubes of smaller diameters. in Functional Carbon Nanotubes. Materials Research Society Symposium Proceedings, vol. 858, Materials Research Society, pp. 161-166, 2004 MRS Fall Meeting, Boston, MA, United States, 04/11/29. https://doi.org/10.1557/proc-858-hh7.2

Samsonidze, Georgii G. ; Saito, Riichiro ; Jiang, Jie ; Grüneis, Alexander ; Kobayashi, Naoki ; Jorio, Ado ; Chou, Shin G. ; Dresselhaus, Gene ; Dresselhaus, Mildred S. / Corrections to the optical transition energies in single-wall carbon nanotubes of smaller diameters. Functional Carbon Nanotubes. Materials Research Society, 2004. pp. 161-166 (Materials Research Society Symposium Proceedings).

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abstract = "Optical spectroscopy characterization of carbon nanotube samples requires accurate determination of their band structure and exciton binding energies. In this paper, we present a non-orthogonal density-functional based tight-binding calculation for the electronic transition energies in single-wall carbon nanotubes. We show that the curvature-induced rehybridization of the electronic orbitals, long-range atomic interactions, and geometrical structure relaxation all have a significant impact on the electronic transition energies in the small diameter limit. After including quasiparticle corrections and exciton binding energies, the calculated electronic transition energies show good agreement with the experimental transition energies observed by photoluminescence and resonance Raman spectroscopy.",

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AU - Samsonidze, Georgii G.

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AU - Kobayashi, Naoki

AU - Jorio, Ado

AU - Chou, Shin G.

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AB - Optical spectroscopy characterization of carbon nanotube samples requires accurate determination of their band structure and exciton binding energies. In this paper, we present a non-orthogonal density-functional based tight-binding calculation for the electronic transition energies in single-wall carbon nanotubes. We show that the curvature-induced rehybridization of the electronic orbitals, long-range atomic interactions, and geometrical structure relaxation all have a significant impact on the electronic transition energies in the small diameter limit. After including quasiparticle corrections and exciton binding energies, the calculated electronic transition energies show good agreement with the experimental transition energies observed by photoluminescence and resonance Raman spectroscopy.

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