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

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

Abstract

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.

Keywords

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.

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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

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