Bonding of Metals to Si(111): A Study of Chemisorption

  • F. Illas
  • J. M. Ricart
  • J. Rubio
  • J. Casanovas
  • L. Roset
Part of the NATO ASI Series book series (NSSB, volume 283)


Chemisorption of metals on Si (111) is a very active area of research because of its relationship with microelectronics. Moreover, when metals as Al or Ag are deposited to clean Si (111) very complex structures appear. The changes on the work function with coverage are another indication of the complex nature of the interaction. The goal of this paper is to determine equilibrium structural parameters for the adsorbate above the surface and to analyze the character of the interaction of each adsorbate above each site. This is accomplished by using the ab initio molecular orbital cluster model approach to compute the energy and the Hartree-Fock wavefunction. Analysis of the wavefunction permits to extract conclusions about the nature of the interaction.


Cluster Model Point Charge Electric Field Effect Scan Tunneling Microscopy Experiment Chemisorption Bond 


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Copyright information

© Plenum Press, New York 1992

Authors and Affiliations

  • F. Illas
    • 1
  • J. M. Ricart
    • 2
  • J. Rubio
    • 1
  • J. Casanovas
    • 1
  • L. Roset
    • 1
  1. 1.Departamento de Quimica FisicaFacultas de Quimica (U.B.)BarcelonaSpain
  2. 2.Departamento de QuimicaFacultad de Quimica de Tarragona (U.B.)TarragonaSpain

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