Journal of Experimental and Theoretical Physics

, Volume 110, Issue 1, pp 114–120 | Cite as

Change in surface states of Ag(111) thin films upon adsorption of a monolayer of PTCDA organic molecules

  • N. L. ZaitsevEmail author
  • I. A. Nechaev
  • E. V. Chulkov
Electronic Properties of Solid


The change in the electronic structure of silver thin films of different thicknesses with the Ag( 111) orientation due to the interaction with an adsorbed monolayer of ordered organic molecules of 3,4,9,10-perylene-tetracarboxylic acid dianhydride (PTCDA) has been investigated in terms of density functional theory. It has been shown that one of the two surface states of the pure films transforms into an unocc upied interface state due to the interaction so that all the main features of the initial state are retained. The relation of the resulting state to the unoccupied state experimentally observed in the PTCDA/Ag( 111 ) system by scanning tunneling and two-photon photoemi ssion spectroscopy has been discussed.


Surface State Brillouin Zone Interface State Local Density Approximation Layer Film 
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

© Pleiades Publishing, Ltd. 2010

Authors and Affiliations

  • N. L. Zaitsev
    • 1
    • 2
    Email author
  • I. A. Nechaev
    • 1
    • 3
  • E. V. Chulkov
    • 1
    • 4
  1. 1.Donostia International Physics Center (DIPC), San SebastiánBasque CountrySpain
  2. 2.Kuznetsov Siberian Physicotechnical InstituteTomsk State University, Novosobornaya pl. 1TomskRussia
  3. 3.Nekrasov Kostroma State UniversityKostromaRussia
  4. 4.Departamento de Física de Materiales, Facultad de Ciencias QuímicasUPV/EHU and Centro Mixto CSIC-UPV/EHUBasque CountrySpain

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