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

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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Journal of Materials Science, Springer Verlag, 2015, 50 (10), pp.3825-3834. 〈10.1007/s10853-015-8951-y〉
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https://hal.univ-lorraine.fr/hal-01514139
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Soumis le : mardi 25 avril 2017 - 17:22:03
Dernière modification le : mercredi 12 septembre 2018 - 01:26:10

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Nan Xu, J. M. Raulot, Z. B. Li, J. Bai, B. Yang, et al.. Composition-dependent structural and magnetic properties of Ni-Mn-Ga alloys studied by ab initio calculations. Journal of Materials Science, Springer Verlag, 2015, 50 (10), pp.3825-3834. 〈10.1007/s10853-015-8951-y〉. 〈hal-01514139〉

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