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First-principles theory of magnetically driven anomalous ordering in bcc Fe-Cr alloys
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.ORCID iD: 0000-0002-9920-5393
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
2008 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 77, no 9, 094436- p.Article in journal (Refereed) Published
Abstract [en]

Ab initio perturbation-theory techniques, such as the generalized perturbation method and magnetic force theorem, are used to determine the Heisenberg exchange interaction parameters and the effective cluster interactions in Fe-rich bcc Fe-Cr alloys in different magnetic states. We establish a direct connection between chemical and magnetic exchange interactions, as well as their dependence on the global magnetic state of the alloy. These findings have important implications for phase equilibria in magnetic alloys. In particular, we demonstrate that the experimentally reported concentration interval of anomalous ordering in Fe-Cr alloys is determined by the thermal history of the alloys through the value of global magnetization at the annealing temperature.

Place, publisher, year, edition, pages
2008. Vol. 77, no 9, 094436- p.
Keyword [en]
exchange interactions, ferromagnetic metals, mossbauer, system, iron, decomposition, energies
National Category
Physical Chemistry Condensed Matter Physics Metallurgy and Metallic Materials
Identifiers
URN: urn:nbn:se:kth:diva-17422DOI: 10.1103/PhysRevB.77.094436ISI: 000254542500116Scopus ID: 2-s2.0-41549156032OAI: oai:DiVA.org:kth-17422DiVA: diva2:335466
Note

QC 20100525

Available from: 2010-08-05 Created: 2010-08-05 Last updated: 2017-12-12Bibliographically approved

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Korzhavyi, Pavel A.

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Physical ChemistryCondensed Matter PhysicsMetallurgy and Metallic Materials

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