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

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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.

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Acknowledgements

The authors would like to acknowledge the 863 Program of China (Grant No. 2015AA034101), the National Natural Science Foundation of China (Grant No. 51431005 and 51301036), the 111 Program of China (Grant No. B07015), The Program for Liaoning Innovative Research Team in University (Grant No. LT2013007), Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20120042110021), The Fundamental Research Funds for the Central Universities of China (Grant No. N130110001 and N130523001), and the Natural Science Foundation of Hebei Province (No. E2013501089).

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Authors and Affiliations

  1. Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education), Northeastern University, Shenyang, 110819, China

    N. Xu, Z. B. Li, B. Yang, X. Y. Meng, X. Zhao & L. Zuo

  2. Laboratoire d’Étude des Microstructures et de Mécanique des Matériaux LEM3 CNRS, UMR 7239, Université de Lorraine, 57045, Metz, France

    N. Xu, J. M. Raulot, B. Yang, Y. D. Zhang & C. Esling

  3. Laboratory of Excellence on Design of Alloy Metals for Low-mAss Structures (DAMAS), Université de Lorraine, 57045, Metz, France

    J. M. Raulot, Y. D. Zhang & C. Esling

  4. Department of Materials Science and Engineering, Northeastern University at QinHuangDao Branch, QinHuangDao, 066004, China

    J. Bai

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  1. N. Xu
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Xu, N., Raulot, J.M., Li, Z.B. et al. Composition-dependent structural and magnetic properties of Ni–Mn–Ga alloys studied by ab initio calculations. J Mater Sci 50, 3825–3834 (2015). https://doi.org/10.1007/s10853-015-8951-y

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