Site preference and tetragonal distortion of Heusler alloy Mn-Ni-V

Tan, J.G.; Liu, Z.H.; Zhang, Yajiu; Li, G.T.; Zhang, H.G.; Liu, G.D.; Ma, Xingqiao

doi:10.1016/j.rinp.2018.12.096

Cited by 25 publications

(6 citation statements)

References 44 publications

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“…First-principles calculations have predicted that the hypothesis all-d-metal Heusler alloy Ni 2 MnV has martensitic transformation. [33,34] However, our experiment finds that it is difficult to crystalize in Heusler structure for Ni 2 MnV. It has been reported that Co 2 VMn has B2 structure with a Curie temperature (T C ) of 670 K and a saturation magnetization of 145.1 emu/g.…”

Section: Introductionmentioning

confidence: 65%

Formation of quaternary all-d-metal Heusler alloy by Co doping fcc type Ni₂MnV and mechanical grinding induced B2-fcc transformation

Lu¹,

Zhang²,

Wang³

et al. 2023

Chinese Phys. B

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The structure of the all-d-metal alloy Ni50-x Co x Mn25V25 (x = 0-50) was investigated by theoretical and experimental methods. The first-principles calculations indicate that the most stable structure of Ni2MnV alloy is face-centered cubic (fcc) type structure with ferrimagnetic state and the equilibrium lattice constant is 3.60 Å, which is in agreement with the experimental result. It is remarkable that replacing partial Ni with Co can turn the alloy from fcc structure to B2-type Heusler structure as Co content x > 37 by using melting spinning method, implying that the d-d hybridization between Co/Mn elements and low-valent elements V stabilizes the Heusler structure. The Curie temperature T C of all-d-metal Heuser alloy Ni50-x Co x Mn25V25 (x > 37) increases almost linearly with the increase of Co due to that the interaction of Co-Mn is stronger than Ni-Mn. A magnetic transition from ferromagnetic state to weak magnetic state accompanying with grinding stress induced transformation from B2 to the dual-phase of B2 and fcc has been observed in these all-d-metal Heusler alloys. This phase transformation and magnetic change provide a guide to overcome the brittleness and make the all-d-metal Heusler alloy interesting in stress and magnetic driving structural transition.

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Section: Introductionmentioning

confidence: 65%

Formation of quaternary all-d-metal Heusler alloy by Co doping fcc type Ni₂MnV and mechanical grinding induced B2-fcc transformation

Lu¹,

Zhang²,

Wang³

et al. 2023

Chinese Phys. B

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“…Furthermore, the structure instability of Cd 2 MnFe comes from the sharp peak near E F due to the energy increasing of the system. [41] The structures of Cd 2 MnNi and Cd 2 MnCu are relatively stable duo to the valleys appear near E F based on Jahn-Teller effect, [42] the aspect of MTs will be discussed in the subsequent section. For the PDOS, the d-states of Cd locate below −7 eV and the p-states with low energy locate in the energy region from −4 eV to +2 eV.…”

Section: Resultsmentioning

confidence: 99%

Electronic structures, magnetic properties, and martensitic transformation in all-d-metal Heusler-like alloys Cd₂MnTM (TM = Fe, Ni, Cu)*

Peng

Zhang

et al. 2020

Chinese Phys. B

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The electronic structures, magnetic properties, and martensitic transformation in all-d-metal Heusler-like alloys Cd2MnTM (TM = Fe, Ni, Cu) were investigated by the first-principles calculations based on density-functional theory. The results indicate that all three alloys are stabilized in the ferromagnetic L21-type structure. The total magnetic moments mainly come from Mn and Fe atoms for Cd2MnFe, whereas, only from Mn atoms for Cd2MnNi and Cd2MnCu. The magnetic moment at equilibrium lattice constant of Cd2MnFe (6.36 μ B) is obviously larger than that of Cd2MnNi (3.95 μ B) and Cd2MnCu (3.82 μ B). The large negative energy differences (ΔE) between martensite and austenite in Cd2MnFe and Cd2MnNi under tetragonal distortion and different uniform strains indicate the possible occurrence of ferromagnetic martensitic transformation (FMMT). The minimum total energies in martensitic phase are located with the c/a ratios of 1.41 and 1.33 for Cd2MnFe and Cd2MnNi, respectively. The total moments in martensitic state still maintain large values compared with those in cubic state. The study is useful to find the new all-d-metal Heusler alloys with FMMT.

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“…On the other hand, Tan et al have investigated the preferred site occupancy of the Ni 2– x Mn 1+ x V series, for which V atoms exhibit the lowest relative valence electrons (3 d 3 4 s 2 ) in comparison to the Ni (3 d 8 4 s 2 ) and Mn (3 d 8 4 s 2 ) atoms. In this way, for Ni 2 MnV, Ni should occupy the (A/C) sites, Mn the (B) sites, and V the (D) site.…”

Section: All-d-metal Heusler Alloys: Recent Findingsmentioning

confidence: 99%

All-d-Metal Full Heusler Alloys: A Novel Class of Functional Materials

Paula

Reis

2021

Chem. Mater.

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Full Heusler alloys display a wide range of physical phenomena with potential applications in different areas. However, researchers still struggle to overcome many limiting factors to optimize their functional properties. Particularly, the poor mechanical properties of the X 2 YZ series undermine its exploration as shape memory alloys and solid-state cooling materials. Recently, the suppression of p−d covalent hybridization characteristic of these alloys came up as a promising approach, resulting in novel compounds displaying enhanced mechanical properties and large caloric effects. These materials have been named all-d-metal Heusler alloys. We discuss this advanced functional behavior in light of the recent theoretical and experimental findings. Moreover, we point out some open questions suggesting different pathways to guide further research on this topic.

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Site preference and tetragonal distortion of Heusler alloy Mn-Ni-V

Cited by 25 publications

References 44 publications

Formation of quaternary all-d-metal Heusler alloy by Co doping fcc type Ni₂MnV and mechanical grinding induced B2-fcc transformation

Formation of quaternary all-d-metal Heusler alloy by Co doping fcc type Ni₂MnV and mechanical grinding induced B2-fcc transformation

Electronic structures, magnetic properties, and martensitic transformation in all-d-metal Heusler-like alloys Cd₂MnTM (TM = Fe, Ni, Cu)*

All-d-Metal Full Heusler Alloys: A Novel Class of Functional Materials

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Site preference and tetragonal distortion of Heusler alloy Mn-Ni-V

Cited by 25 publications

References 44 publications

Formation of quaternary all-d-metal Heusler alloy by Co doping fcc type Ni2MnV and mechanical grinding induced B2-fcc transformation

Formation of quaternary all-d-metal Heusler alloy by Co doping fcc type Ni2MnV and mechanical grinding induced B2-fcc transformation

Electronic structures, magnetic properties, and martensitic transformation in all-d-metal Heusler-like alloys Cd2MnTM (TM = Fe, Ni, Cu)*

All-d-Metal Full Heusler Alloys: A Novel Class of Functional Materials

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Formation of quaternary all-d-metal Heusler alloy by Co doping fcc type Ni₂MnV and mechanical grinding induced B2-fcc transformation

Formation of quaternary all-d-metal Heusler alloy by Co doping fcc type Ni₂MnV and mechanical grinding induced B2-fcc transformation

Electronic structures, magnetic properties, and martensitic transformation in all-d-metal Heusler-like alloys Cd₂MnTM (TM = Fe, Ni, Cu)*