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

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 fu...

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Bibliographic Details
Published in:Journal of experimental and theoretical physics 2010-01, Vol.110 (1), p.114-120
Main Authors: Zaitsev, N. L., Nechaev, I. A., Chulkov, E. V.
Format: Article
Language:English
Subjects:
ADSORPTION
AROMATICS
BOSONS
CALCULATION METHODS
Chemical properties
Classical and Quantum Gravitation
CONDENSED AROMATICS
CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
CRYSTAL STRUCTURE
DENSITY FUNCTIONAL METHOD
Electronic Properties of Solid
ELECTRONIC STRUCTURE
ELEMENTARY PARTICLES
ELEMENTS
EMISSION
EMISSION SPECTROSCOPY
INTERFACES
MASSLESS PARTICLES
METALS
MOLECULES
Monomolecular films
ORGANIC COMPOUNDS
ORIENTATION
Particle and Nuclear Physics
PERYLENE
PHOTOEMISSION
PHOTONS
Physics
Physics and Astronomy
Quantum Field Theory
Relativity Theory
SECONDARY EMISSION
SILVER
Solid State Physics
SORPTION
SPECTROSCOPY
SURFACES
THIN FILMS
TRANSITION ELEMENTS
TUNNEL EFFECT
VARIATIONAL METHODS
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Description
Summary: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.
ISSN:1063-7761
1090-6509
DOI:10.1134/S1063776110010140