Abstract:In the framework of the variational method of the spin density functional theory the formation of a monolayer FexNi1-x alloy film on the W, Ag and Au substrates depending on the concentration of the alloy components and coating parameter is described. The temperature effects of the mixing of adsorbate and substrate atoms and ferromagnetic ordering effects are taken into account. The adsorption energy for a close-packed face is minimal for all presented systems. A monolayer film without mixing is formed on Au a… Show more
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