Theoretical evidence of the compositional threshold behavior of FeCr surfaces
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
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.
ab initio calculations, chromium alloys, dilute alloys, ferromagnetic materials, iron alloys, solubility, surface chemistry, surface composition, surface magnetism
Natural Sciences Engineering and Technology
IdentifiersURN: urn:nbn:se:uu:diva-13273DOI: 10.1103/PhysRevB.76.220401ISI: 000251986400002OAI: oai:DiVA.org:uu-13273DiVA: diva2:41043