Unraveling the effect of oxygen on the magnetic map of Fe/Cr multilayers

Salvador Meza-Aguilar () and Claude Demangeat
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Salvador Meza-Aguilar: Facultad de Ciencias Físico-Matemáticas de la Universidad Autónoma de Sinaloa, Av. Las Americas y Blvd. Universitarios, Colonia Universitaria
Claude Demangeat: UFR de Physique et d’Ingénierie, 3 rue de l’Université

The European Physical Journal B: Condensed Matter and Complex Systems, 2020, vol. 93, issue 6, 1-4

Abstract: Abstract Recent experimental results have depicted a strong modification of the magnetic map when oxygen is added to Fe/Cr multilayers. Within ab initio DFT + U code we show that the Fe/O/Cr/Fe(001) semi-infinite system is unstable whereas oxygen tends to move on top of the Fe atomic layer. Focuss is therefore made on the O/Fe/Cr/Fe(001) semi-infinite slab which displays an interlayer exchange coupling different from the classical case when O is absent. The effect of the oxygen adsorbed layer is to alter strongly the local density of states on the Fe atoms: this can explain the modification of the interlayer exchange coupling. Both DFT-only and DFT + U approaches are investigated in order to point out the major effect of U on the magnetic polarization. Graphical abstract

Keywords: Solid; State; and; Materials (search for similar items in EconPapers)
Date: 2020
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DOI: 10.1140/epjb/e2020-10043-4

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