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Journal of Experimental and Theoretical Physics

, Volume 125, Issue 2, pp 278–289 | Cite as

Submonolayer adsorption of Na onto the Cu(110) surface: Structure and vibrational properties

  • G. G. Rusina
  • S. D. Borisova
  • E. V. Chulkov
Solids and Liquids
  • 33 Downloads

Abstract

The submonolayer adsorption of Na onto the Cu(110) surface is studied. At small Na coverages (Θ = 0.16–0.25 ML), the substrate surface subjected to missing-row reconstruction (1 × 2) is shown to be most stable dynamically. When the coverage increases to Θ = 0.5 ML, the unreconstructed substrate surface with a c(2 × 2) sodium adlayer becomes dynamically stable. For an analysis, we used data on the equilibrium atomic configuration, the adsorption energy, the phonon spectra, the local density of phonon states, and the polarization of localized vibrational modes. All calculations were performed using the interatomic potentials obtained in terms of the embedded-atom method. The calculated frequencies of localized vibrational modes agree well with the existing experimental data.

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Copyright information

© Pleiades Publishing, Inc. 2017

Authors and Affiliations

  • G. G. Rusina
    • 1
    • 2
  • S. D. Borisova
    • 1
    • 2
  • E. V. Chulkov
    • 3
    • 4
  1. 1.Institute of Strength Physics and Materials ScienceRussian Academy of Sciences, Siberian BranchTomskRussia
  2. 2.Tomsk State UniversityTomskRussia
  3. 3.St. Petersburg State UniversitySt. PetersburgRussia
  4. 4.Departamento de Física de MaterialesSan SebastiánSpain

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