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Shape Memory and Superelasticity

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23.08.2019 | Technical Article

Theoretical Prediction of Martensitic Transformation in Mn₃Si Heusler Alloy

verfasst von: H. Yahla, A. Boukra, F. Kadi Allah, F. Terki

Erschienen in: Shape Memory and Superelasticity | Ausgabe 3/2019

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Abstract

On the basis of ab initio calculations, we report the phase transformation of Mn₃Si Heusler alloy from austenite to martensite structure. The total energy calculations suggest that the antiferromagnetic (AFM) spin configuration phase has the lowest energy and at a compressed volume Mn₃Si becomes ferromagnetic (FM). We focus upon the distortion of the cubic Heusler structure which induces tetragonal structure with space group I4/mmm. We find out that, at c/a ratio of 1.60 and 1.38, the FM and AFM tetragonal structures become stable unlike the cubic ones. Consequently, martensitic transformation is expected to occur in both FM and AFM Mn₃Si alloy. The stability of the martensite phase with respect to the austenite one is confirmed by calculating the density of states (DOS) at the Fermi level.

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Titel: Theoretical Prediction of Martensitic Transformation in Mn3Si Heusler Alloy
verfasst von: H. Yahla
A. Boukra
F. Kadi Allah
F. Terki
Publikationsdatum: 23.08.2019
Verlag: Springer US
Erschienen in: Shape Memory and Superelasticity / Ausgabe 3/2019
Print ISSN: 2199-384X
Elektronische ISSN: 2199-3858
DOI: https://doi.org/10.1007/s40830-019-00232-7

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