The Submonolayer Structure of Ni(111)–(√3 × √3)R30–Pb:
Atomic Relaxation and Vibrational Properties

S. D. Borisova; Борисова С. Д.; G. G. Rusina; Русина Г. Г.

doi:10.31857/S0015323023600284

The Submonolayer Structure of Ni(111)–(√3 × √3)R30–Pb: Atomic Relaxation and Vibrational Properties

Autores: Borisova S.¹, Rusina G.¹
Afiliações:
1. Institute of Strength Physics and Materials Science, Siberian Branch, Russian Academy of Sciences
Edição: Volume 124, Nº 5 (2023)
Páginas: 377-383
Seção: СТРУКТУРА, ФАЗОВЫЕ ПРЕВРАЩЕНИЯ И ДИФФУЗИЯ
URL: https://journals.rcsi.science/0015-3230/article/view/139440
DOI: https://doi.org/10.31857/S0015323023600284
EDN: https://elibrary.ru/OLAGDQ
ID: 139440

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Resumo

The results of a theoretical study of the structural and dynamical parameters of surface phases (adsorption phase and surface alloy phase) formed upon the adsorption of 0.33 Pb monolayer on the Ni(111) plane surface are discussed. Calculations were performed using interatomic potentials obtained within the framework of the embedded atom method. The stability of the surface phases was analyzed on the basis of data on the equilibrium atomic configuration, phonon spectra, local density of phonon states, and polarization of localized vibration modes. It is shown that the Pb–Ni surface alloy has the highest dynamic stability among the two possible surface phases.

Palavras-chave

two-dimensional surface structures, relaxation, surface dynamics

Sobre autores

S. Borisova

Institute of Strength Physics and Materials Science, Siberian Branch, Russian Academy of Sciences

Email: svbor@ispms.ru
Tomsk, 634055 Russia

G. Rusina

Institute of Strength Physics and Materials Science, Siberian Branch, Russian Academy of Sciences

Autor responsável pela correspondência
Email: svbor@ispms.ru
Tomsk, 634055 Russia

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