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Ab initio study of magnetic properties of Fe-Mn-Al Heusler alloys

Published online by Cambridge University Press:  17 July 2013

Vladimir V. Sokolovskiy ,
Vasiliy D. Buchelnikov ,
Mikhail A. Zagrebin ,
Sergey V. Taskaev ,
Vladimir V. Khovaylo  and
Peter Entel
Vladimir V. Sokolovskiy
Affiliation:
Chelyabinsk State University, Chelyabinsk, 454001, Russia National University of Science and technology "MIS&S", Moscow, 119049, Russia
Vasiliy D. Buchelnikov
Affiliation:
Chelyabinsk State University, Chelyabinsk, 454001, Russia
Mikhail A. Zagrebin
Affiliation:
Chelyabinsk State University, Chelyabinsk, 454001, Russia
Sergey V. Taskaev
Affiliation:
Chelyabinsk State University, Chelyabinsk, 454001, Russia
Vladimir V. Khovaylo
Affiliation:
National University of Science and technology "MIS&S", Moscow, 119049, Russia
Peter Entel
Affiliation:
University of Duisburg-Essen, Duisburg, D-47048, Germany
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Abstract

Density functional theory (DFT) based on the spin-polarized relativistic Korringa-Kohn-Rostoker (SPR-KKR) method is used to investigate the magnetic properties of nonstoichiometric Fe2+xMn1-xAl Heusler alloys, where 0 ≤ x ≤ 0.9. The composition dependences of the magnetic exchange couplings and the Curie temperature for the cubic L21 phase are obtained. Our simulations have shown that the Fe-Fe nearest neighbors present a strong ferromagnetic coupling. Moreover, these exchange interactions are larger than other interactions. The substitution of Mn by Fe in Fe2+xMn1-xAl (0 ≤ x ≤ 0.9) leads to an increase in the Curie temperature. This tendency and the values of Curie temperatures are in agreement with the experimental results for Fe2+xMn1-xAl (x = 0, and 0.1). The highest Curie temperature was observed for the Fe-richer alloy.

Keywords

alloyferromagneticmagnetic properties
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1581: Symposium CCC – Novel Functionality by Reversible Phase Transformation , 2013 , mrss13-1581-ccc05-06
Copyright
Copyright © Materials Research Society 2013 

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References

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