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

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2 Citations (Scopus)


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 languageEnglish
Title of host publicationFunctional Carbon Nanotubes
PublisherMaterials Research Society
Number of pages6
ISBN (Print)1558998101, 9781558998100
Publication statusPublished - 2004
Event2004 MRS Fall Meeting - Boston, MA, United States
Duration: 2004 Nov 292004 Dec 2

Publication series

NameMaterials Research Society Symposium Proceedings
ISSN (Print)0272-9172


Other2004 MRS Fall Meeting
Country/TerritoryUnited States
CityBoston, MA

ASJC Scopus subject areas

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


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