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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  1. 1.
    See for instance, J. W. Keller and M. A. Coplan, Chem. Phys. Lett. 193, 784 (1992)Google Scholar
  2. R. Abouaf, J. Pommier, and S. Cvejanovic, Chem. Phys. Lett. 213, 503 (1993).CrossRefGoogle Scholar
  3. See for instance, F. Alasia et al., J. Phys. B 27, L643 (1994).Google Scholar
  4. 3.
    A. A. Lucas, L. Henrad, and Ph. Lambin, Phys. Rev. B 49, 2888 (1994).CrossRefGoogle Scholar
  5. 4.
    P. A. Apell, D. Ostling, and G. Mukhopadhyai, Solid State Commun. 87, 219 (1993).CrossRefGoogle Scholar
  6. 5.
    R. Pis-Diez, M. P. Irriguez, M. J. Stott, and J. A. Alonso, Phys. Rev. B 52, 8446 (1995).CrossRefGoogle Scholar
  7. 6.
    A. Rubio, J. A. Alonso, J. M. Lopez, and M. J. Stott, Phys. Rev. B 49, 17397 (1994).CrossRefGoogle Scholar
  8. S. Frank, et al., Z. Phys. D 40, 250 (1997).Google Scholar
  9. 8.
    M. J. Puska and R. M. Nieminen, Phys. Rev. A 47, 1181 (1993).Google Scholar
  10. 9.
    A. Rubio, J. A. Alonso, J. M. Lopez, and M. J. Stott, Physica B 183, 247 (1993).CrossRefGoogle Scholar
  11. 10.
    D. Ugarte, Chem. Phys. Lett. 209, 99 (1993).CrossRefGoogle Scholar
  12. 11.
    M. J. Stott and E. Zaremba, Phys. Rev. A 21, 12 (1980).Google Scholar
  13. 12.
    A. Zangwill and P. Soven, Phys. Rev. A 21, 1561 (1980).CrossRefGoogle Scholar
  14. J. M. Cabrera-Trujillo et al., Phys. Rev. B 53, 16059 (1996).Google Scholar
  15. 14.
    M. P. Irriguez, M. J. Lopez, J. A. Alonso, and J. M. Soler, Z. Phys. D 11, 163 (1989).Google Scholar
  16. 15.
    K. Nuroh, M. J. Stott, and E. Zaremba, Phys. Rev. Lett. 49, 862 (1982).CrossRefGoogle Scholar
  17. 16.
    J. A. Alonso and L. C. BalbAs, Topics in Current Chemistry, edited by R. F. Nalewajski, (Springer-Verlag, Berlin 1996), Vol. 182, p. 119.Google Scholar
  18. 17.
    D. York, J. P. Lu and W. Yang, Phys. Rev. B 49, 8526 (1994); J. P. Lu and W. Yang, ibid 49, 11 421 (1994).Google Scholar
  19. 18.
    N. W. Ashcroft, Phys. Lett. 23, 48 (1966).Google Scholar
  20. 19.
    R. G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules (Oxford University Press, 1989 ).Google Scholar
  21. 20.
    W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).CrossRefGoogle Scholar
  22. 21.
    Y. Saito, H. Shinohara, and A. Ohshita, Jpn. J. Appl. Phys. 30, L1068 (1991).CrossRefGoogle Scholar
  23. 22.
    P. G. Reinhard, O. Genzken, and M. Brack, Ann. Physik 5, 576 (1996).Google Scholar

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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