Advertisement

Optical response of bimetallic LixNa8−x(0≦x≦8) and of doped Na8Zn clusters

  • L. C. Balbás
  • A. Rubio
  • M. B. Torres
Conference paper

Abstract

Using the time dependent local density approximation we calculate the photoabsorption spectra of bimetallic Li x Na8−x (0≦x≦8) and of doped Na8Zn clusters. Ground state cluster geometry and electronic structure are obtained by minimization of total energy from Kohn-Sham self-consistent calculations within the spherically averaged pseudopotential method. For Li x Na8−x clusters we obtain two nearly isomeric geometries. In both cases the corresponding photoabsorption spectra show a single collective excitation (surface plasmon) at increasing frequency as the number of lithium atoms increases. For a given number of lithium atoms, the plasmon frequency of the cluster in the ground state geometry is ~ 0.1 eV blueshifted with respect to that in the isomeric state. The equilibrium geometry of doped Na8Zn cluster is formed by a nearly spherical shell of eight Na atoms enclosing the Zn impurity at the cluster center. The corresponding optical spectrum shows two peaks at higher frequencies than the surface plasmon of pure Na8 cluster, in agreement with recent photodepletion spectroscopy experiments.

Keywords

High Occupied Molecular Orbital Spherical Shell Lithium Atom Vertical Ionization Potential Photoabsorption Cross Section 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. 1.
    Stott, H.J., Zaremba, E.: Phys. Rev. A21, 12 (1980)ADSGoogle Scholar
  2. 2.
    Ekardt, W.: Phys. Rev. Lett. 52, 1925 (1984)ADSCrossRefGoogle Scholar
  3. Ekardt, W.: Phys. Rev. B31, 6360 (1985)ADSCrossRefGoogle Scholar
  4. 3.
    Iñiguez, M.P., López, M.J., Alonso, J.A., Soler, J.M.: Z. Phys. D11, 163 (1989)ADSCrossRefGoogle Scholar
  5. 4.
    Rubio, A., Balbás, L.C., Alonso, J.A.: Phys. Rev. B45, 13657 (1992)ADSCrossRefGoogle Scholar
  6. Rubio, A., Balbás, L.C., Alonso, J.A.: Phys. Rev. 46, 4891 (1992)ADSCrossRefGoogle Scholar
  7. Boll, A., Martin, G., López, J.M., Alonso, J.A.: Z. Phys. D28, 311 (1993)Google Scholar
  8. 5.
    Selby, K., Kresin, V., Masui, J., Vollmer, M., de Heer, W.A., Scheidemann, A., Knight, W.D.: Phys. Rev. B43, 4565 (1991)ADSCrossRefGoogle Scholar
  9. Wang, C.R.C., Pollack, S., Cameron, D., Kappes, M.M.: J. Chem. Phys. 93, 3738 (1990)Google Scholar
  10. 6.
    Blanc, J., Bonacic-Koutecky, V., Broyer, M., Chevaleyre, J., Dugourd, Ph., Koutecky, J., Sheuch, C., Wolf, J.P., Woste, L.: J. Chem. Phys. 96, 1793 (1992)ADSCrossRefGoogle Scholar
  11. 7.
    Dahlseid, T.A., Koretsky, G.M., Pollak, S., Wang, C.R.C., Hunter, J., Alamedin, G., Cameron, D., Liu, S., Kappes, M.: Nuclear concepts in cluster phyiscs. Schmidt, R., Lutz, H.O., Dreizier, R. (eds.), p. 263. Berlin, Heidelberg, New York: Springer 1992Google Scholar
  12. 8.
    Kohn, W., Shan, L.J.: Phys. Rev. A140, 1133 (1965)ADSGoogle Scholar
  13. 9.
    Ashcroft, N.W.: Phys. Lett. 23, 48 (1966)ADSCrossRefGoogle Scholar
  14. 10.
    Lushnikov, A.A., Maksimenko, V.V., Simonov, A.J.: Electromagnetic surface modes. Boardman, A.D. (ed.). New York: Wiley 1982Google Scholar
  15. 11.
    Pollack, S., Wang, C.R.C., Dahlseid, T.A., Kappes, M.M.: J. Chem. Phys. 96, 4918 (1992)ADSCrossRefGoogle Scholar
  16. 12.
    Bréchignac, C., Cahuzac, Ph., Leygnier, J., Sarfati, A.: Phys. Rev. Lett. 70, 2036 (1993)ADSCrossRefGoogle Scholar
  17. 13.
    Serra, Ll., Bachelet, G.B., Van Giai, N., Lipparini, E.: Phys. Rev. 48, 14708 (1993)CrossRefGoogle Scholar
  18. 14.
    López, J.M., Ayuela, A., Alonso, J.A.: Density functionals methods in chemistry. Labanowski, J., Andzehn, J. (eds.), p. 373. Berlin, Heidelberg, New York: Springer 1991CrossRefGoogle Scholar
  19. 15.
    Yannouleas, C., Jena, P., Khanna, S.N.: Phys. Rev. B46, 9751 (1992)ADSCrossRefGoogle Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 1995

Authors and Affiliations

  • L. C. Balbás
    • 1
  • A. Rubio
    • 1
  • M. B. Torres
    • 2
  1. 1.Departamento de Física TeóricaUniversidad de ValladolidValladolidSpain
  2. 2.Departamento de Matemática Aplicada y ComputaciónUniversidad de ValladolidValladolidSpain

Personalised recommendations