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Stability and magnetism of ultrathin Cr films on a Fe(001) substrate

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Czechoslovak Journal of Physics Aims and scope

Abstract

Itinerant magnetism of ultrathin epitaxial Cr overlayers on a Fe(001) substrate and their energy stability with respect to Cr-Fe interdiffusion were studied by means of ab initio electronic structure calculations. The latter were based on the tight-binding linear muffin-tin orbital method and the coherent potential approximation. The interdiffusion was simulated by two-dimensional substitutionally disordered Cr-Fe alloys formed within two layers at the Cr/Fe interface. For a 1 monolayer Cr film a tendency to surface alloy formation is found in contrast to a 2 monolayer Cr film which seems to be stable with respect to Fe-Cr intermixing. A comparison of the calculated results to recent experimental data is presented and an interplay between the energy stability and magnetism of the films is pointed out.

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  1. Institute of Physics of Materials, Acad. Sci. CR, Žižkova 22, CZ-61662, Brno, Czech Republic

    I. Turek

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  1. I. Turek
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Turek, I. Stability and magnetism of ultrathin Cr films on a Fe(001) substrate. Czech J Phys 49, 1639–1644 (1999). https://doi.org/10.1023/A:1022888302827

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  • DOI: https://doi.org/10.1023/A:1022888302827

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