Quasiparticle energies, excitonic effects and optical absorption spectra of small-diameter single-walled carbon nanotubes
We present a first-principles study of the effects of many-electron interactions on the optical properties of single-walled carbon nanotubes. Motivated by recent experiments, we have carried out ab initio calculations on the single-walled carbon nanotubes (3,3), (5,0) and (8,0). the calculations are based on a many-body Green's function approach in which both the quasiparticle (single-particle) excitation spectrum are determined. We show that the optical spectrum of both the semiconducting and metallic nanotubes studied exhibits important excitonic effects due to their quasi-one-dimensional nature. Binding energies for excitonic states range from zero for the metallic (5,0) tube to nearly 1 eV for the semiconducting (8,0) tube. Moreover, the metallic (3,3) tube possesses exciton states bound by nearly 100meV. Our calculated spectra explain quantitatively the observed features found in the measured spectra.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Director. Office of Science. Office of Basic Energy Sciences. Materials Sciences Division, Lawrence Livermore National Laboratory Contract W-7405-ENG-48; National Science Foundation (US)
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 840882
- Report Number(s):
- LBNL-55066; R&D Project: 506701; TRN: US0502187
- Journal Information:
- Applied Physics A, Vol. 78; Other Information: Journal Publication Date: 03/09/2004; PBD: 1 Oct 2003
- Country of Publication:
- United States
- Language:
- English
Similar Records
First-principles calculations on electronic properties of single-walled carbon nanotubes for H{sub 2}S gas sensor
Exciton annihilation and dephasing dynamics in semiconducting single-walled carbon nanotubes