M. V. Ryzhkova, S. G. Azatyan, N. V. Denisov, D. A. Tsukanov, “Structural studies of <nobr>$2\times2$</nobr>-(Bi,Mg) reconstruction on the Si(111) surface”, Pis'ma v Zh. Èksper. Teoret. Fiz., 2025, Volume 121, Issue 12,Pages <nobr>938

CONDENSED MATTER

Structural studies of $2\times2$-(Bi,Mg) reconstruction on the Si(111) surface

M. V. Ryzhkova^a, S. G. Azatyan^a, N. V. Denisov^a, D. A. Tsukanov^ba

^a Institute of Automation and Control Processes, Far East Branch, Russian Academy of Sciences, Vladivostok, 690041 Russia
^b Far Eastern Federal University, Vladivostok, 690950 Russia

Abstract: To study the crystal structure of the Si(111) $2\times2$-(Bi,Mg) surface reconstruction, formed during the adsorption of magnesium on the Si(111) $\sqrt 3 \times \sqrt 3 $-Bi surface phase, ab initio calculations have been performed. The stoichiometric composition of the unit cell of the $2\times2$ surface reconstruction has been determined. Using the calculated formation energies, the most stable structures for the two-dimensional Bi$_{X}$Mg$_{Y}$ alloy have been identified. It has been shown that the structural model with the configuration $X = 2$ and $Y = 4$ is in good agreement with the low-energy electron diffraction and scanning tunneling microscopy results observed for the reconstructed Si(111) $2\times2$-(Bi,Mg) surface.

Received: 28.12.2024
Revised: 29.04.2025
Accepted: 30.04.2025

DOI: 10.31857/S0370274X25060137