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Theoretical evidence of the compositional threshold behavior of FeCr surfaces
Uppsala University, Disciplinary Domain of Science and Technology, Technology, Department of Engineering Sciences, Applied Materials Sciences.
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2007 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 76, no 22, 220401-1-220401-4 p.Article in journal (Refereed) Published
Abstract [en]

Usingfirst-principles quantum-mechanical theory, we demonstrate that the surface chemistry ofFe-Cr alloys follows the peculiar threshold behavior characteristic of ferriticstainless steels. We find that in dilute alloys the surfacesare covered exclusively by Fe, whereas for bulk Cr concentrationabove ~10% the Cr-containing surfaces become favorable. The two distinctlydissimilar surface regimes appear as a consequence of two competingmagnetic effects: the magnetically induced immiscibility in bulk Fe-Cr alloysand the stability of magnetic surfaces.

Place, publisher, year, edition, pages
2007. Vol. 76, no 22, 220401-1-220401-4 p.
Keyword [en]
ab initio calculations, chromium alloys, dilute alloys, ferromagnetic materials, iron alloys, solubility, surface chemistry, surface composition, surface magnetism
National Category
Natural Sciences Engineering and Technology
URN: urn:nbn:se:uu:diva-13273DOI: 10.1103/PhysRevB.76.220401ISI: 000251986400002OAI: oai:DiVA.org:uu-13273DiVA: diva2:41043
Available from: 2008-06-09 Created: 2008-06-09 Last updated: 2016-04-08Bibliographically approved

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Hogmark, StureJohansson, BörjeVitos, Levente
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Applied Materials SciencesDepartment of PhysicsMaterials Theory
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