Quasiparticle energies, excitonic effects and optical absorption spectra of small-diameter single-walled carbon nanotubes

Journal Article · Wed Oct 01 04:00:00 EDT 2003 · Applied Physics A

OSTI ID:840882

Spataru, C D ^[1]; Ismail-Beigi, S; Benedict, L X; Louie, S G

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1. LBNL Library

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: Ernest Orlando Lawrence Berkeley National Laboratory, Berkeley, CA (US)
• 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
• Journal Information: Applied Physics A, Journal Name: Applied Physics A Vol. 78
• Country of Publication: United States
• Language: English

Related Subjects

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ABSORPTION SPECTRA
CARBON
EXCITATION
EXCITONS
NANOTUBES
OPTICAL PROPERTIES
SPECTRA