Geodesic
Ab initio modeling of segregation of iron atoms on the $(111)$ nickel surface
Vestnik Ûžno-Uralʹskogo gosudarstvennogo universiteta. Seriâ, Matematika, mehanika, fizika, Tome 7 (2015) no. 2, pp. 44-49 Cet article a éte moissonné depuis la source Math-Net.Ru

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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. 
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     title = {Ab initio modeling of segregation of iron atoms on the $(111)$ nickel surface},
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G. P. Viatkin; S. I. Morozov. Ab initio modeling of segregation of iron atoms on the $(111)$ nickel surface. Vestnik Ûžno-Uralʹskogo gosudarstvennogo universiteta. Seriâ, Matematika, mehanika, fizika, Tome 7 (2015) no. 2, pp. 44-49. http://geodesic.mathdoc.fr/item/VYURM_2015_7_2_a4/

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