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Phase Stability of Ni–(Co)–Mn–Z Heusler Alloys (Z = Ga, In, Sb, Sn)

  • STRUCTURE, PHASE TRANSFORMATIONS, AND DIFFUSION
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Abstract

First-principles studies on phase stability and resistance with respect to the segregation of austenitic and martensitic phases of Ni2 – xCoxMn1 + yZ1 – y Heusler alloys (x = 0, 0.25, 0.5 and y = 0, 0.25, 0.5, 0.75; Z = Ga, In, Sb, Sn) with different types of magnetic ordering. Among all the considered compounds, the stability has been demonstrated only by the Ni1.5Co0.5MnGa and Ni2MnGa alloys in the cubic and tetragonal structures having a ferromagnetic ordering, respectively, as well as by Ni2Mn2 in the tetragonal structure with a staggered and layer-by-layer AFM ordering. For the case of these compositions, the presence of zero energy of the convex hull, as well as the absence of reactions with positive decomposition energy has been shown. The remaining compounds appear to be metastable, both owing to the presence of stable reactions with negative decomposition energy, and decomposition reactions with positive decomposition energy. The number of decomposition reactions exhibits an increase with increasing chemical disorder, i.e., with deviations from stoichiometry.

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Funding

The work was financial supported by the Ministry of Science and Higher Education of the Russian Federation in the scope of the State Order no. 075-01493-23-00 (Ni2 ‒ xCoxMn1 + yZ1 – y, Z = Ga, In structures) and by the Russian Science Foundation (project no. 22-19-00610 https://rscf.ru/project/22-19-00610/, Dagestan Federal Research Center of the Russian Academy of Sciences, Republic of Dagestan) (Ni2 – xCoxMn1 + yZ1 – y, Z = Sb, Sn structures Ni2 – xCoxMn1 + yZ1 – y, Z = Sb, Sn). K.R. Erager expresses sincere gratitude to the Foundation for Young Scientists Support of the Chechen State University.

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Authors and Affiliations

  1. Chelyabinsk State University, 454001, Chelyabinsk, Russia

    K. R. Erager, V. V. Sokolovskiy & V. D. Buchelnikov

  2. AmirkhanovInstitute of DagSC, Russian Academy of Sciences, Republic of Dagestan, 367003, Makhachkala, Russia

    K. R. Erager, V. V. Sokolovskiy, A. G. Gamzatov & A. M. Aliev

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  1. K. R. Erager
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Translated by O. Polyakov

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Erager, K.R., Sokolovskiy, V.V., Buchelnikov, V.D. et al. Phase Stability of Ni–(Co)–Mn–Z Heusler Alloys (Z = Ga, In, Sb, Sn). Phys. Metals Metallogr. 124, 1181–1188 (2023). https://doi.org/10.1134/S0031918X23601786

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