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Phys. Rev. Lett. 91, 046402 (2003) [4 pages]

Optical and Loss Spectra of Carbon Nanotubes: Depolarization Effects and Intertube Interactions

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A. G. Marinopoulos1, Lucia Reining1, Angel Rubio2, and Nathalie Vast1
1Laboratoire des Solides Irradiés, UMR 7642 CNRS/CEA, École Polytechnique, F-91128 Palaiseau, France
2Departamento de Física de Materiales, Facultad de Químicas, Universidad del País Vasco, Centro Mixto CSIC-UPV/EHU and Donostia International Physics Center (DIPC), 20018 San Sebastián/Donostia, Spain

Received 29 October 2002; published 23 July 2003

We performed ab initio calculations of the anisotropic dielectric response of small-diameter single-walled carbon nanotubes in the framework of time-dependent density-functional theory. The calculated optical spectra are in very good agreement with experiment, both concerning absolute peak positions and anisotropy effects. The latter can only be described correctly when crystal local-field effects (“depolarization” effects) are fully taken into account. Moreover, interactions between the tubes can strongly modify their absorption and electron energy-loss spectra.

© 2003 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.91.046402
DOI:
10.1103/PhysRevLett.91.046402
PACS:
71.45.Gm, 77.22.Ej, 78.20.Bh, 78.67.Ch