Influence of surface orientation on the energy and magnetic characteristics of substitutional adsorption of the monolayer iron film

Theoretical description of activated adsorption of Fe film on the Ag and Au nonmagnetic substrates at low Miller index orientations of its surface face with taking into consideration the inhomogeneous distrubution of magnetization in surficial region. We calculated the adsorption energies, structural parameter and spatial distribution of magnetization for Fe/Ag and Fe/Au systems as a function of the parameter of coverage Q for different temperatures. Results of calculation show that the temperature and ferromagnetic ordering lead to material effect on surface reconstruction and characteristics of adsorption at depending on the coverage parameter Θ. So, for adsorption Fe on Ag it is revealed that substitutional processes are energetically more favorable for case with small values of coverage parameter Θ when “sandwich”-structures or close to these are generated. However, at Θ =1 the interaction of magnetic ions and appearance of spontaneous magnetization lead to formation of monolayer film on a surface without involvement of substrate atoms.The substitutional processes for adsorption Fe on Au substrate strongly depend on orientations of surface faces than on Ag substrate: on close-packed surface face (111) processes of reconstruction are very poor; on face Au (100) and Au (110) effects of surface reconstruction are similar to adsorption Fe on Ag substrate. Smearing of peak magnetization negatively affects on magnetic properties of the system. For practical applications, it is necessary that the peak of the magnetization is in the region of the film. Therefore we can conclude that the system Fe/Au (111) is better used as a magnetic element.