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Theoretical Study of the Collective Electronic Excitations of the Endohedral Clusters Na N @C780

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Current Problems in Condensed Matter

Abstract

The low energy part of the photoabsorption spectrum of the two layer fullerene C780 and the endohedrals Na20@C780 and Na25@C780 has been calculated using time-dependent density functional theory. The main feature in C780 is a collective resonance at 6.60 eV that we interpret as a precursor of the π plasmon of graphite. The presence of the endohedral Na clusters shifts this resonance by 0.2 eV to higher energies. A small feature also appears at 3 eV, associated to the well known collective resonance of free sodium clusters.

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Cabrera-Trujillo, J.M., Pis-Diez, R., Alonso, J.A., López, M.J., Iñiguez, M.P., Rubio, A. (1998). Theoretical Study of the Collective Electronic Excitations of the Endohedral Clusters Na N @C780 . In: Morán-López, J.L. (eds) Current Problems in Condensed Matter. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-9924-8_13

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  • DOI: https://doi.org/10.1007/978-1-4757-9924-8_13

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4757-9926-2

  • Online ISBN: 978-1-4757-9924-8

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