This article is cited in 2 papers

CONDENSED MATTER

Structure and dynamic stability of a multilayer Na film on the Cu(001) surface

G. G. Rusina^ab, S. D. Borisova^ab, E. V. Chulkov<sup>cb

a</sup> Institute of Strength Physics and Materials Science, Siberian Branch, Russian Academy of Sciences, Tomsk, Russia
^b Tomsk State University, Tomsk, Russia
^c Departamento de Física de Materiales, UPV/EHU, and CFM, Centro Mixto CSIC-UPV/EHU, San Sebastián, Spain

Abstract: Mechanisms of atomic layer-by-layer formation of the equilibrium structure of multilayer Na film on the Cu(001) surface have been studied taking into account relaxation and dynamic (phonon) processes. It has been shown that the atomic rearrangement of the substrate-commensurate c(2$\times$2) superstructure of the first Na monolayer to a bcc (110)-oriented structure begins with the second monolayer. The dynamic contribution to the formation of the structure of the growing Na film has been estimated. It has been shown that phonon modes select exponentially observed structures from statically favorable structures. All calculations have been performed with interatomic potentials constructed with the embedded atom method. The comparison of the calculated vibrational frequencies with the existing experimental data has demonstrated their good agreement.

Received: 27.03.2019
Revised: 27.03.2019
Accepted: 03.04.2019

DOI: 10.1134/S0370274X19090108

 English version: Journal of Experimental and Theoretical Physics Letters, 2019, 109:9, 600–605

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