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Here we report a systematic research on effects of Fe and Cu upon properties relevant for the magnetic shape memory effect of Ni–Mn–Ga ferromagnetic shape memory alloys. Fe and Cu were identified as elements with potential synergism to increase the martensite transformation temperature of Ni–Mn–Ga magnetic shape memory (MSM) alloys. Eighteen Ni–Mn–Ga–Fe–Cu alloys with different systematic trends in substituting the ternary elements with Cu and Fe have been investigated. We found a method to describe the effectiveness of Ni, Mn, and Cu upon raising the martensitic transformation temperature, lowering the saturation magnetization, and varying the Curie temperature. We find the martensite transformation temperature most influenced by the Ni content, followed by Mn, with a smaller effect of Cu. The saturation magnetization decreases with similar coefficients for Mn and Cu alloying. The Curie temperature monotonously decreases with Mn, but not Cu. The 10M martensite structure is stable for the composition Ni46.5Mn25?XGa25-X-YFe3.5CuY with X and Y range of 0–5.7, and 0.8–3.0. Used in combination with the total e/a, the elemental e/a-ratio gives some insight into the complex behavior of quinary MSM alloys and is a useful method of analyzing MSM alloys for improved functional properties.
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Integrated ab initio modelling of atomic ordering and magnetic anisotropy for design of FeNi-based magnets
Abstract We describe an integrated modelling approach to accelerate the search for novel, single-phase, multicomponent materials with high magnetocrystalline anisotropy (MCA). For a given system we predict the nature of atomic ordering, its dependence on the magnetic state, and then proceed to describe the consequent MCA, magnetisation, and magnetic critical temperature (Curie temperature). Crucially, within our modelling framework, the same ab initio description of a material’s electronic structure determines all aspects. We demonstrate this holistic method by studying the effects of alloying additions in FeNi, examining systems with the general stoichiometries Fe4Ni3Xand Fe3Ni4X, for additives includingX = Pt, Pd, Al, and Co. The atomic ordering behaviour predicted on adding these elements, fundamental for determining a material’s MCA, is rich and varied. Equiatomic FeNi has been reported to require ferromagnetic order to establish the tetragonal L10order suited for significant MCA. Our results show that when alloying additions are included in this material, annealing in an applied magnetic field and/or below a material’s Curie temperature may also promote tetragonal order, along with an appreciable effect on the predicted hard magnetic properties.
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- Award ID(s):
- 2118164
- PAR ID:
- 10557397
- Publisher / Repository:
- Nature Publishing Group
- Date Published:
- Journal Name:
- npj Computational Materials
- Volume:
- 10
- Issue:
- 1
- ISSN:
- 2057-3960
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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