Vestnik Yuzhno-Ural'skogo Gosudarstvennogo Universiteta. Seriya "Matematika. Mekhanika. Fizika"
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Vestnik Yuzhno-Ural'skogo Gosudarstvennogo Universiteta. Seriya "Matematika. Mekhanika. Fizika", 2015, Volume 7, Issue 2, Pages 44–49 (Mi vyurm253)  
Physics

Ab initio modeling of segregation of iron atoms on the $(111)$ nickel surface

G. P. Viatkin, S. I. Morozov

South Ural State University
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Abstract: The paper is devoted to computer modeling of surface alloys $\mathrm{Ni}$-based ab initio methods. Obtained surface model alloys $\mathrm{Ni}(111)$, calculated their physical properties: relaxation, surface energy, work function. Effect of location of the $\mathrm{Fe}$ atoms on these characteristics is studied.
Keywords: computer modeling; ab initio methods; surface; nickel; iron; segregation; relaxation.
Received: 11.03.2015
Bibliographic databases:
Document Type: Article
UDC: 669.24.056.9:004+539.211
Language: Russian
Citation: G. P. Viatkin, S. I. Morozov, “Ab initio modeling of segregation of iron atoms on the $(111)$ nickel surface”, Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz., 7:2 (2015), 44–49
Citation in format AMSBIB
\Bibitem{VyaMor15}
\by G.~P.~Viatkin, S.~I.~Morozov
\paper Ab initio modeling of segregation of iron atoms on the $(111)$ nickel surface
\jour Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz.
\yr 2015
\vol 7
\issue 2
\pages 44--49
\mathnet{http://mi.mathnet.ru/vyurm253}
\elib{https://elibrary.ru/item.asp?id=23142246}
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