Modeling of the magnetic properties of the Cr-Fe interface

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Abstract
A method of self-consistent determination of magnetic ordering in rough Fe-Cr interfaces is developed. It comprises two basic algorithms. The first algorithm is the epitaxy routine, which allows one to simulate the structure of the Fe-Cr interfaces. The epitaxy algorithm works in two variants. One of them creates relatively regular structures while the second variant generates quite irregular interfaces. The second algorithm provides a routine for determination of the magnetic ordering in a spatially inhomogeneous structure. For sets of the interfaces, constructed with the epitaxy algorithm and comprising 30 configurations, self-consistent calculations of the magnetic properties of the system are performed. This allows us to obtain the average physical quantities of the interface and its dependence on the coverage parameter ζ with a reasonable accuracy. It is shown that low coverages of Cr upon the Fe vicinal surface cause a decrease in the average magnetic moment of the interface iron atoms. The influence of surface roughness on the smoothing of the average magnetic-moment oscillations with surface coverage is demonstrated.