Abstract
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.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
