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Stacking-fault energy and anti-Invar effect in Fe-Mn alloy from first principles
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2012 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 86, no 6, 060201- p.Article in journal (Refereed) Published
Abstract [en]

Based on state-of-the-art density-functional-theory methods we calculate the stacking-fault energy of the prototypical high-Mn steel Fe-22.5 at% Mn between 300 and 800 K. We estimate magnetic thermal excitations by considering longitudinal spin fluctuations. Our results demonstrate that the interplay between the magnetic excitations and the thermal lattice expansion is the main factor determining the anti-Invar effect, the hcp-fcc transformation temperature, and the stacking-fault energy, all of which are in good agreement with measurements.

Place, publisher, year, edition, pages
2012. Vol. 86, no 6, 060201- p.
Keyword [en]
Fcc/Hcp Martensitic-Transformation, Iron-Manganese Alloys, Trip/Twip Steels, Phase, Antiferromagnetism, Systems, Metals
National Category
Physical Sciences
URN: urn:nbn:se:kth:diva-103154DOI: 10.1103/PhysRevB.86.060201ISI: 000308127600001ScopusID: 2-s2.0-84865687613OAI: diva2:559433
Swedish Research Council

QC 20121009

Available from: 2012-10-09 Created: 2012-10-04 Last updated: 2012-10-09Bibliographically approved

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Ruban, Andrei V.
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Applied Material Physics
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