Indirect interaction in Ag and Pd adsorbed layers on the Mo(112) surface

▸ The structure of Ag/Mo(112) has been studied by LEED. ▸ DFT calculations show that adjacent Ag or Pd adatoms attract each other. ▸ The missing-row p(1×2) Pd structure is formed due to indirect interaction. ▸ The corresponding period of Friedel oscillations is originated by surface sheets of Fermi...

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Bibliographic Details
Published in:Applied surface science 2013-01, Vol.265, p.615-620
Main Authors: Śliwiński, J., Wiejak, M., Kołaczkiewicz, J., Yakovkin, I.N.
Format: Article
Language:English
Subjects:
Ag and Pd adsorbed layers
Bands
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Condensed matter: structure, mechanical and thermal properties
Density functional calculations
Density functional theory, local density approximation
Electron diffraction and scattering
Electron states
Exact sciences and technology
Formations
Furrows
Incoherence
Low-energy electron diffraction
Low-energy electron diffraction (leed) and reflection high-energy electron diffraction (rheed)
Low-index transition metal surfaces
Mathematical analysis
Methods of electronic structure calculations
Oscillations
Palladium
Physics
Silver
Structure of solids and liquids
crystallography
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Summary:▸ The structure of Ag/Mo(112) has been studied by LEED. ▸ DFT calculations show that adjacent Ag or Pd adatoms attract each other. ▸ The missing-row p(1×2) Pd structure is formed due to indirect interaction. ▸ The corresponding period of Friedel oscillations is originated by surface sheets of Fermi surface of Mo(112). The structures of Ag adsorbed layers on the Mo(112) surface have been studied by low energy electron diffraction (LEED) and compared with Pd structures on this surface. Performed DFT calculations have shown that the dominant interaction at low coverages both in Ag and Pd layers is an attraction of adjacent adatoms, which explains the formation of atomic rows lying in the substrate furrows. The sheets of Fermi surface of Mo(112) originated by surface bands provide the period of Friedel oscillations approximately equal to 2 lattice periods in the direction normal to the furrows, which leads to the appearance of the minimum of the potential of the indirect lateral interaction at this distance and, for Pd coverage θ=0.5, results in the formation of the missing-row p(1×2) structure. The absence of the missing-row structure for the same coverage of Ag is caused by the incoherence of Ag chains with the substrate, which stems from the larger diameter of Ag adatoms.
ISSN:0169-4332
1873-5584
DOI:10.1016/j.apsusc.2012.11.060