Theoretical Study of the Metal-Nonmetal Transition in Transition Metal Clusters

  • F. Aguilera-Granja
  • J. A. Alonso
  • J. M. Montejano-Carrizales


We have studied the metal-nonmetal transition in transition metal clusters assuming that the d electrons determine the electronic properties of the system and using a rectangular band model. The average coordination number is calculated exactly as a function of the cluster size and the second-moment approximation is used to compute a size-dependent band-width. The metal-nonmetal transition occurs when the density of states near the Fermi level exceeds 1/k B T and the discrete energy levels begin to form a quasi-continuous band. We have found a sensitive dependence of the critical size with temperature. The critical sizes decrease fast with increasing T. At the liquid nitrogen temperature the critical sizes are of the order of 60 atoms or less.


Ionization Potential Critical Size Liquid Nitrogen Temperature Metallic Behavior Average Coordination Number 
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.


Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.


  1. 1.
    P. N. First et al., Phys. Rev. Lett. 63, 1416 (1989).CrossRefGoogle Scholar
  2. 2.
    K. Rademann, B. Kaiser, U. Even, and F. Hensel, Phys. Rev. Lett. 59, 2319 (1987).CrossRefGoogle Scholar
  3. 3.
    H. Haberland et al., J. Chem. Soc. Faraday Trans. 86, 2473 (1990).CrossRefGoogle Scholar
  4. 4.
    F. Yonezawa, S. Sakamoto, and F. Wooten, J. Non-Cryst. Solids 117–118, 477 (1990).Google Scholar
  5. 5.
    G. K. Wertheim, Z. Phys. D 12, 319 (1989).Google Scholar
  6. 6.
    R. Kubo, A. Kawabata, and S. Kobayashi, Ann. Rev. Mater. Sci. 14, 49 (1984).CrossRefGoogle Scholar
  7. 7.
    G. Pastor, P. Stampfli, and K. H. Bennemann, Phys. Scripta 38, 623 (1988)CrossRefGoogle Scholar
  8. G. Pastor, P. Stampfli, and K. H. Bennemann, Europhys. Lett. 7, 419 (1988).Google Scholar
  9. 8.
    J. Zhao, X. Chen, and G. Wang, Phys. Rev. B 50, 15 424 (1994).Google Scholar
  10. 9.
    J. Friedel, in: The Physics of Metals, edited by J. M. ‘liman (Cambridge University Press, 1969 ) p. 340.Google Scholar
  11. 10.
    A. Vega, J. Dorantes-Davila, L. C. Balbas, and G. M. Pastor, Phys. Rev. B 47, 4742 (1993).CrossRefGoogle Scholar
  12. 11.
    D. Tomanek, S. Mukherjee, and K. H. Bennemann, Phys. Rev. B 28, 665 (1983)CrossRefGoogle Scholar
  13. G. M. Pastor, J. Dorantes-Davila, and K. H. Bennemann, Chem. Phys. Lett. 148, 459 (1988).CrossRefGoogle Scholar
  14. 12.
    J. M. Montejano-Carrizales, F. Aguilera-Granja, and J.L. Moran-López, Proceedings of III Latin American Workshop on Magnetism, Magnetic Materials and Their Applications, edited by F. Leccabue and V. Sagredo, (World Scientific, Singapure, 1996) p. 320; Nanostructured Mater. 8, 269 (1997).Google Scholar
  15. 13.
    B. N. Bhatt and T. M. Rice, Phys. Rev. B 20, 466 (1979).CrossRefGoogle Scholar
  16. 14.
    W. A. Harrison, Electronic Structure and the Properties of Solids ( Freeman, San Francisco, 1980 ).Google Scholar
  17. 15.
    S. Yang and M. B. Knickelbein, J. Chem. Phys. 93, 1533 (1990).CrossRefGoogle Scholar
  18. 16.
    S. Bouarab, A. Vega, M. P. Ifiguez, and J. A. Alonso, Phys. Rev. B 54, 3003 (1996).CrossRefGoogle Scholar
  19. 17.
    E. K. Parks, T. D. Klots, and S. J. Riley, J. Chem. Phys. 92, 3813 (1990).CrossRefGoogle Scholar
  20. 18.
    M. M. Kappes and E. J. Schumacher, Z. Phys. Chem. B 156, 23 (1988).CrossRefGoogle Scholar
  21. 19.
    D. M. Wood, Phys. Rev. Lett. 46, 749 (1981).Google Scholar
  22. 20.
    J. A. Alonso and N. H. March, Electrons in Metals and Alloys ( Academic Press, London, 1989 ).Google Scholar
  23. 21.
    H. B. Michaelson, J. Appl. Phys. 48, 4730 (1977).CrossRefGoogle Scholar

Copyright information

© Springer Science+Business Media New York 1998

Authors and Affiliations

  • F. Aguilera-Granja
    • 1
  • J. A. Alonso
    • 1
  • J. M. Montejano-Carrizales
    • 2
  1. 1.Departamento de Física TeóricaUniversidad de ValladolidValladolidSpain
  2. 2.Instituto de FísicaUniversidad Autónoma de San Luis PotosíSan Luis Potosí, S.L.P.Mexico

Personalised recommendations