Semiempirical potentials for Pt/Cu(100) surface alloy investigationстатья
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Дата последнего поиска статьи во внешних источниках: 20 мая 2019 г.
Аннотация:In this paper we present universal parameters of the second moment approximation to the tight-binding potentials for the Pt/Cu(111) and Pt/Cu(100) systems. The parameters are fitted and tested with both experimental and ab initio data. Potentials well reproduce values of bulk characteristics of Cu and Pt and also a lot of characteristic energies and diffusion barriers of considered systems. Calculated values of diffusion barriers predict the behavior which
qualitatively agrees with the experimental results.