Family behavior of the optical transition energies in single-wall carbon nanotubes of smaller diameters
Abstract
Using the extended tight-binding model that allows bond lengths and angles to vary, the optical transition energies Eii in single-wall carbon nanotubes are calculated as a function of inverse tube diameter. After geometrical structure optimization, the 2n +m=constant family behavior observed in photoluminescence (PL) experiments is obtained, and detailed agreement between the calculations and PL experiments is achieved after including many-body corrections.
- Publication:
-
Applied Physics Letters
- Pub Date:
- December 2004
- DOI:
- 10.1063/1.1829160
- Bibcode:
- 2004ApPhL..85.5703S
- Keywords:
-
- 73.22.-f;
- 78.67.Ch;
- 61.50.Lt;
- 71.15.Ap;
- 61.46.+w;
- 78.55.Hx;
- Electronic structure of nanoscale materials: clusters nanoparticles nanotubes and nanocrystals;
- Nanotubes;
- Crystal binding;
- cohesive energy;
- Basis sets and related methodology;
- Other solid inorganic materials