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 22Article in journal (Refereed) Published
Using first-principles quantum-mechanical theory, we demonstrate that the surface chemistry of Fe-Cr alloys follows the peculiar threshold behavior characteristic of ferritic stainless steels. We find that in dilute alloys the surfaces are covered exclusively by Fe, whereas for bulk Cr concentration above ∼10% the Cr-containing surfaces become favorable. The two distinctly dissimilar surface regimes appear as a consequence of two competing magnetic effects: the magnetically induced immiscibility in bulk Fe-Cr alloys and the stability of magnetic surfaces.
Place, publisher, year, edition, pages
2007. Vol. 76, no 22
potential model, binary-alloys, 3d metals, cr alloys, segregation, oxidation, passivity, energy, steel, iron
IdentifiersURN: urn:nbn:se:kth:diva-17186DOI: 10.1103/PhysRevB.76.220401ISI: 000251986400002ScopusID: 2-s2.0-36849028090OAI: oai:DiVA.org:kth-17186DiVA: diva2:335229
QC 20100525 QC 201202212010-08-052010-08-052012-02-21Bibliographically approved