Composition-dependent structural and magnetic properties of Ni-Mn-Ga alloys studied by ab initio calculations - Université de Lorraine Access content directly
Journal Articles Journal of Materials Science Year : 2015

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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Dates and versions

hal-01514139 , version 1 (25-04-2017)

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