Abstract
The surface segregation in binary alloys of transition metals based on platinum and palladium with different surface-face orientations are simulated via the electron-density functional method. The concentrations of the surface-active components of the binary alloys and displacements of the surface ion planes thereof are calculated self-consistently. The influence of surface segregation and lattice relaxation on the surface energy and electron work function on the surface of alloys of transition metals with various concentrations is investigated. The simulation results are compared with experimental data.
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Original Russian Text © A.V. Matveev, 2013, published in Poverkhnost’. Rentgenovskie, Sinkhrotronnye i Neitronnye Issledovaniya, 2013, No. 8, pp. 75–85.
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Matveev, A.V. Physical and mathematical model of the surface segregation in binary alloys of transition metals. J. Surf. Investig. 7, 774–783 (2013). https://doi.org/10.1134/S1027451013040344
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DOI: https://doi.org/10.1134/S1027451013040344