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

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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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Authors and Affiliations

  1. Institute of Strength Physics and Materials Science, Russian Academy of Sciences, Siberian Branch, Akademicheskii pr. 2/4, Tomsk, 634021, Russia

    G. G. Rusina & S. D. Borisova

  2. Tomsk State University, pr. Lenina 36, Tomsk, 634050, Russia

    G. G. Rusina & S. D. Borisova

  3. St. Petersburg State University, St. Petersburg, 198504, Russia

    E. V. Chulkov

  4. Departamento de Física de Materiales, San Sebastián, 20080, Spain

    E. V. Chulkov

Authors
  1. G. G. Rusina
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  2. S. D. Borisova
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  3. E. V. Chulkov
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Correspondence to G. G. Rusina.

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Original Russian Text © G.G. Rusina, S.D. Borisova, E.V. Chulkov, 2017, published in Zhurnal Eksperimental’noi i Teoreticheskoi Fiziki, 2017, Vol. 152, No. 2, pp. 327–340.

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Rusina, G.G., Borisova, S.D. & Chulkov, E.V. Submonolayer adsorption of Na onto the Cu(110) surface: Structure and vibrational properties. J. Exp. Theor. Phys. 125, 278–289 (2017). https://doi.org/10.1134/S1063776117080179

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  • DOI: https://doi.org/10.1134/S1063776117080179

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