Theoretical Study of the Collective Electronic Excitations of the Endohedral Clusters NaN@C780

  • J. M. Cabrera-Trujillo
  • R. Pis-Diez
  • J. A. Alonso
  • M. J. López
  • M. P. Iñiguez
  • A. Rubio


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.


Density Functional Theory Photoabsorption Cross Section Concentric Shell C240 Cage Photoabsorption Spectrum 
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Copyright information

© Springer Science+Business Media New York 1998

Authors and Affiliations

  • J. M. Cabrera-Trujillo
    • 1
  • R. Pis-Diez
    • 2
  • J. A. Alonso
    • 3
  • M. J. López
    • 3
  • M. P. Iñiguez
    • 3
  • A. Rubio
    • 3
  1. 1.Facultad de CienciasUniversidad Autónoma de San Luis PotosíSan Luis Potosí, S.L.P.Mexico
  2. 2.QuinorUniversidad Nacional de La PlataLa PlataArgentina
  3. 3.Departamento de Física TeóricaUniversidad de ValladolidValladolidSpain

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