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Journal of Materials Science
Published in: Journal of Materials Science 10/2015

01-05-2015 | Original Paper

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

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

Published in: Journal of Materials Science | Issue 10/2015

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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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Metadata
Title
Composition-dependent structural and magnetic properties of Ni–Mn–Ga alloys studied by ab initio calculations
Authors
N. Xu
J. M. Raulot
Z. B. Li
J. Bai
B. Yang
Y. D. Zhang
X. Y. Meng
X. Zhao
L. Zuo
C. Esling
Publication date
01-05-2015
Publisher
Springer US
Published in
Journal of Materials Science / Issue 10/2015
Print ISSN: 0022-2461
Electronic ISSN: 1573-4803
DOI
https://doi.org/10.1007/s10853-015-8951-y

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