Exciton-Plasmon States in Nanoscale Materials: Breakdown of the Tamm-Dancoff Approximation.

Grüning, Myrta;Marini, Andrea;Gonze, Xavier
(2009) Nano Letters : a journal dedicated to nanoscience and nanotechnology — Vol. 9, n° 8, p. 2820-2824 (2009)

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Authors
  • Grüning, Myrta
    Author
  • Marini, Andrea
    Author
  • Gonze, XavierUCLouvain
    Author
Abstract
Within the Tamm-Dancoff approximation, ab initio approaches describe excitons as packets of electron-hole pairs propagating only forward in time. However, we show that in nanoscale materials excitons and plasmons hybridize, creating exciton-plasmon states where the electron-hole pairs oscillate back and forth in time. Then, as exemplified by the trans-azobenzene molecule and the carbon nanotubes, the Tamm-Dancoff approximation yields errors larger than the accuracy claimed in ab initio calculations. Instead, we propose a general and efficient approach that avoids the Tamm-Dancoff approximation, correctly describes excitons, plasmons, and exciton-plasmon states, and provides a good agreement with experimental results.
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Citations

Grüning, M., Marini, A., & Gonze, X. (2009). Exciton-Plasmon States in Nanoscale Materials: Breakdown of the Tamm-Dancoff Approximation. Nano Letters : a journal dedicated to nanoscience and nanotechnology, 9(8), 2820-2824. https://doi.org/10.1021/nl803717g (Original work published 2009)