Keywords
Martensitic transformation
Crystal structure
All-d-metal Heusler alloy
Submitted : 2026-02-17
Accepted : 2026-03-04
Published : 2026-03-19
Abstract
All-d-metal Heusler alloys have emerged as promising multifunctional materials. Based on first-principles methods, this paper investigates the crystal structure and martensitic transformation characteristics of Ni₂MnZ (Z=Ti, V) alloys. In the cubic phase, the FCC structure exhibits stability. When the c/a ratio ranges from 1.2 to 1.6, ΔEtot is negative and presents a local minimum, indicating the occurrence of martensitic transformation. It is concluded that the all-d-metal Heusler alloys Ni₂MnZ (Z=Ti, V) hold great potential in material design and applications. Further research can explore the influence of different alloy compositions on their microstructures to achieve broader application value.
References
Tarek B, Joanjosep S, 2023, All-d-Metal Heusler Alloys: A Review. Metals, 13(1): 111.
Zhang F, Zhang QY, 2022, The Second-Order Magnetic Phase Transition and Magnetocaloric Effect in All-d-Metal Ni(Co)MnTi Based Magnetic Heusler Alloys. Journal of Alloys and Compounds, 2022(835): 155245.
Wang JX, Zhang YX, Ma SR, et al., 2025, First-Principles Study on the Electronic Structure, Elastic Parameters, and Martensitic Transformation of Ni₂Cu-Based Heusler Alloys. Acta Physica Sinica, 74(4): 218–228.
Zhang QY, Qian MF, Zhang XX, 2022, Magneto-Structural Transition and Refrigeration Property in All-D-Metal Heusler Alloys. Journal of Solar Energy Research Updates, 2022(9): 52–69.
Qi H, 2023, First-Principles Calculations of Ni-(Co)-Mn-Cu-Ti All-d-Metal Heusler Alloy on Martensitic Transformation, Mechanical and Magnetic Properties. International Journal of Minerals, Metallurgy and Materials, 30(10): 1856–1865.
Tang H, 2025, Boosting Caloric Performances of Ni-Co-Mn-Ti Shape Memory Alloy for Multi-Scenario Refrigeration by Spark Plasma Sintering. MDPI Materials, 18(20): 4691.
Jin M, Bai J, Xu JX, et al., 2023, Study on the Influence of Fe Doping on the Martensitic Transformation and Magnetic Properties of Ni-Mn-Ti All-d-Metal Heusler Alloys. Acta Physica Sinica, 72(4): 220–228.
Chen WM, Jiang H, Pu Z, et al., 2026, Research Progress on Elastocaloric Refrigeration of NiTi-Based Shape Memory Alloys. Journal of Materials Engineering, 2026(1): 1–20.
HanggaI T, 2025, Phase Transitions & Magnetic Behavior in X₂YZ Heusler Alloys. Physica Status Solidi B, 2025.
Sun KC, Shi XY, Gao RR, et al. Influence of Cr-Doping on the Formation, Martensitic Transformation and Magnetic Properties of Mn₂NiGa₁₋ₓCrₓ (x=0~0.5) Ribbon Samples. Journal of Physics and Chemistry of Solids, 2021(157): 110204.
Li CM, Jiang B, Zhou JP, 2023, First-Principles Calculations of the Crystal Structure and Elastic Constants of X₂MnSc (X=Ni, Cu, Pd, Pt, Ag, and Au) Alloys. Journal of Shenyang Normal University (Natural Science Edition), 41(5): 402–407.
Peng L, Zhang QQ, Wang N, et al., 2023, Formation of Quaternary All-d-Metal Heusler Alloy by Co Doping FCC Type Ni₂MnV. Chinese Physics B, 32(1): 489–495.
Xu L, Li GJ, Cao ZH, 2024, Theoretical Investigations on Pressure-Driven Large-Volume-Change Martensitic Phase Transition in Ductile All-d-Metal Heusler Compound Ni₂MnTa. Journal of Magnetism and Magnetic Materials, 2024(590): 171637.
Bachagha T, Jing C, Ren W, 2024, Magnetocaloric Effect and Phase Transformation of Zn-Doped Ni-Mn-Ti All-d-Metal Heusler Alloys. Journal of Alloys and Compounds, 2024(1004): 175632.
Samanta S, 2022, Large Reversible Magnetocaloric Effect and Magnetoresistance in All-d-Metal Heusler Alloys. Physical Review Materials, 2022(6): 094411.