Enrichment and segregation in alkali heteroclusters

  • M. J. López
  • A. Mañanes
  • J. A. Alonso
  • M. P. Iñiguez
Conference paper


A spherical average pseudopotential method (SAPS) is used to investigate some properties of compound alkali clusters. The effect that the substitution of a Sodium atom by a Lithium atom in a Nan cluster has on the stabilities and geometries is studied for n ≤ 21. We have found that substitution is always energetically possible. On the other hand equiatomic Na n Cs n clusters are considered in the size range n ≤ 16. We find a strong segregation effect of the Cesium atoms towards the cluster surface. This agrees with what happens in liquid Na x Cs1−x alloys.


31.20 36.40 


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  1. 1.
    Kappes, M.M., Radi, P., Schär, M., Schumacher, E.: Chem. Phys. Lett. 119, 11 (1985).ADSCrossRefGoogle Scholar
  2. 2.
    Kappes, M.M., Schär, M., Schumacher, E.: J. Phys. Chem. 91, 658 (1987).CrossRefGoogle Scholar
  3. 3.
    Brechignac, C., Cahuzac, P., Roux, J.P.: In: Elemental and Molecular Clusters, Springer Series in Materials Science, Vol. 6, p. 254. Berlin, Heidelberg, New York: Springer 1988.Google Scholar
  4. 4.
    Rao, B.K., Khanna, S.N., Jena, P.: Z. Phys. D—Atoms, Molecules and Clusters 3, 219 (1986).ADSCrossRefGoogle Scholar
  5. 5.
    de Heer, W.A., Knight, W.D., Chou, M.Y., Cohen, M.L.: Solid St. Phys. 40, 93 (1987).CrossRefGoogle Scholar
  6. 6.
    Zhang, S.B., Cohen, M.L., Chou, M.Y.: Phys. Rev. B 36, 3455 (1987).ADSCrossRefGoogle Scholar
  7. 7.
    Baladrón, C, Alonso, J.A., Iniguez, M.P.: J. Phys. F 17, L197 (1987).ADSCrossRefGoogle Scholar
  8. 8.
    Iniguez, M.P., Lopez, M.J., Alonso, J.A., Soler, J.M.: Z. Phys. D—Atoms, Molecules and Clusters 11, 163 (1989).ADSCrossRefGoogle Scholar
  9. 9.
    Kohn, W., Sham, L.J.: Phys. Rev. 140, A 1133 (1965).MathSciNetADSCrossRefGoogle Scholar
  10. 10.
    Rice, S.A.: Z. Phys. Chem. 156, 53 (1988).CrossRefGoogle Scholar

Copyright information

© Springer-Verlag 1989

Authors and Affiliations

  • M. J. López
    • 1
  • A. Mañanes
    • 1
  • J. A. Alonso
    • 1
  • M. P. Iñiguez
    • 1
  1. 1.Departamento de Fisica TeóricaUniversidad de ValladolidValladolidSpain

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