4.6 Article

Surface dynamics on submonolayer Pb/Cu(001) surfaces

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PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 24, 期 8, 页码 5164-5170

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ROYAL SOC CHEMISTRY
DOI: 10.1039/d1cp05705g

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  1. government research assignment for ISPMS SB RAS [FWRW-2022-0001]

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The interplay between the atomic structure and phonon spectra in two-dimensional phases formed during submonolayer Pb adsorption on a Cu(001) surface has been investigated. The study shows that the dynamic stability of Pb/Cu(001) structures increases with increasing coverage, resulting in the appearance of new vibration modes.
The interplay of the atomic structure and phonon spectra in a variety of two dimensional phases forming during submonolayer Pb adsorption on a Cu(001) surface has been investigated using embedded atom method interatomic interaction potentials. Complementary calculations of the equilibrium atomic structure of these phases were performed using density functional theory. It has been shown that the dynamic stability of the Pb/Cu(001) structures increases with increasing the coverage from 0.375 ML to ultimately 0.6 ML, when a dense Pb layer is formed. The increase of the coverage also results in progressive shift of the Rayleigh mode of the copper surface to higher energy and the appearance of new mixed adsorbate-substrate vibration modes.

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