/ I. V. Chepkasov, V. S. Baidyshev, E. V. Sukhanova [et al.]> // Appl. Surf. Sci. - 2020. -
Vol. 527. - Ст. 146736,
DOI 10.1016/j.apsusc.2020.146736. - Cited References: 67. - We thank Dr. Ivan Tarasov for fruitful discussions. The research is carried out using the equipment of the shared research facilities of HPC computing resources at Lomonosov Moscow State University and resources of the Center for the Information and Computing of Novosibirsk State University. The molecular dynamics study of
sputtering and annealing iron silicides was supported by the Russian Science Foundation, project no. 16-13-00060-П. All quantum-chemical calculations were supported by Ministry of Education and Science of the Russian Federation in the framework of Increase Competitiveness Program of NUST “MISiS” (No. K2-2020-009)
. - ISSN 0169-4332
Аннотация: The iron silicides formation during epitaxial film grown process on the (100) and (111) silicon surfaces were investigated using molecular dynamics (MD). The iron and silicon atom deposition rate and silicon substrate temperature influence on the formed iron silicide structure and stoichiometric composition were studied in detail. During the growth of iron silicide crystal structure significant diffusion of the substrate atoms into the forming BCC core occurs, this intensifies with the substrate temperature increase, and the ratio of substrate atoms inside the Fe3Si phase reaches nearly 12%. The BCC structure formation is less active on the (100) surface, and at the temperatures as low as 26 °C and 300 °C the iron silicide crystal phase does not form at all. However, with the temperature increase or the deposition rate decrease, the crystal structure formation processes occur more actively in both cases of (100) and (111) surfaces. Thus, the effect of the deposition rate decrease is identical to the temperature growth. It was shown that the formation of the structured B2 phase of iron silicide in buffer layer between the film and the substrate leads to the inhibition of the mutual diffusion of iron and silicon atoms.
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WOS Держатели документа: Skolkovo Institute of Science and Technology, 30, bld. 1 Bolshoy Boulevard, Moscow, 121205, Russian Federation
Katanov Khakas State University, 90 Lenin pr., Abakan, 655017, Russian Federation
Moscow Institute of Physics and Technology (National Research University), 9 Institutskiy per., Dolgoprudny, Moscow Region, 141701, Russian Federation
Emanuel Institute of Biochemical Physics RAS, Moscow, 199339, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 50/38 Akademgorodok, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, 79 Svobodny pr., Krasnoyarsk, 660041, Russian Federation
EK-MFA, Dept. of Nanostructures, Budapest, Hungary
National University of Science and Technology MISiS, 4 Leninskiy pr., Moscow, 119049, Russian Federation
Plekhanov Russian University of Economics, 36 Stremyanny per., Moscow, 199339, Russian Federation
Доп.точки доступа: Chepkasov, I. V.; Baidyshev, V. S.; Sukhanova, E. V.; Visotin, M. A.; Высотин, Максим Александрович; Sule, P.; Popov, Z. I.