Composition-dependent structural and magnetic properties of Ni–Mn–Ga alloys studied by ab initio calculations

N. Xu; J. M. Raulot; Z. B. Li; J. Bai; B. Yang; Y. D. Zhang; X. Y. Meng; X. Zhao; L. Zuo; C. Esling

doi:10.1007/s10853-015-8951-y

journal article·2015-05

Composition-dependent structural and magnetic properties of Ni–Mn–Ga alloys studied by ab initio calculations

N. Xu, J. M. Raulot, Z. B. Li, J. Bai, B. Yang, Y. D. Zhang, X. Y. Meng, X. Zhao, L. Zuo, C. Esling

Journal of Materials Science· Volume 50· Issue 10

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Source abstract

Abstract

We have revealed the influence of composition doping (Ni2+x Mn1−x Ga, Ni2+x MnGa1−x , and Ni2Mn1+x Ga1−x ) on lattice constants and atomic magnetic moments of austenite, 7 M and NM martensite, by ab initio calculations. It is demonstrated that Ni-doping decreases the volume, whereas Mn-doping increases it. The total magnetic moment of the three series of alloys is mainly dominated by their Mn content with little phase-state dependence. The perturbation of the magnetic moments by atom substitution is mainly dominated by the Mn environment. This study is expected to provide information on composition-related structure and magnetic properties of Ni–Mn–Ga alloys that could not be obtained by experiments.

Source: openaire · Quality: candidate unverified · Source record ↗

Research context

Metals & alloys

OpenAlex topics: Shape Memory Alloy Transformations · High Entropy Alloys Studies · Magnetic Properties and Applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (48)

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