Theoretical evidence of the compositional threshold behavior of FeCr surfaces

M. Ropo, K. Kokko, M. P J Punkkinen, S. Hogmark, J. Kollár, B. Johansson, L. Vitos

Research output: Contribution to journalArticle

31 Citations (Scopus)

Abstract

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.

Original languageEnglish
Article number220401
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume76
Issue number22
DOIs
Publication statusPublished - Dec 3 2007

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thresholds
Stainless Steel
Ferritic steel
ferritic stainless steels
Surface chemistry
magnetic effects
Stainless steel
Solubility
solubility
chemistry

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Theoretical evidence of the compositional threshold behavior of FeCr surfaces. / Ropo, M.; Kokko, K.; Punkkinen, M. P J; Hogmark, S.; Kollár, J.; Johansson, B.; Vitos, L.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 76, No. 22, 220401, 03.12.2007.

Research output: Contribution to journalArticle

Ropo, M. ; Kokko, K. ; Punkkinen, M. P J ; Hogmark, S. ; Kollár, J. ; Johansson, B. ; Vitos, L. / Theoretical evidence of the compositional threshold behavior of FeCr surfaces. In: Physical Review B - Condensed Matter and Materials Physics. 2007 ; Vol. 76, No. 22.
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