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Stabilization of the tetragonal distortion of Fe chi Co1-chi alloys by C impurities: A potential new permanent magnet
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2014 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 89, no 14, 144403- p.Article in journal (Refereed) Published
Abstract [en]

We have analyzed by density functional theory calculations the structural and magnetic properties of Fe-Co alloys doped by carbon. In analogy with the formation of martensite in steels we predict that such a structure also forms for Fe-Co alloys in a wide range of concentrations. These alloys are predicted to have a stable tetragonal distortion, which in turn leads to an enhanced magnetocrystalline anisotropy energy of up to 0.75 MJ/m(3) and a saturated magnetization field of 1.9 T.

Place, publisher, year, edition, pages
2014. Vol. 89, no 14, 144403- p.
Keyword [en]
Total-Energy Calculations, Augmented-Wave Method, Carbon-Steel, Basis-Set, Approximation, Anisotropy, Transformation, Martensite, Mechanism, Crystal
National Category
Physical Sciences
URN: urn:nbn:se:kth:diva-144929DOI: 10.1103/PhysRevB.89.144403ISI: 000333665500003ScopusID: 2-s2.0-84899714175OAI: diva2:716094
Swedish Research CouncilEU, European Research Council, 247062Knut and Alice Wallenberg FoundationStandUpeSSENCE - An eScience Collaboration

QC 20140508

Available from: 2014-05-08 Created: 2014-05-05 Last updated: 2014-05-08Bibliographically approved

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Skorodumova, Natalia V.Vitos, Levente
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Multiscale Materials ModellingApplied Material Physics
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