Interface compatibility-induced quasi-volume-preserving martensitic phase transition in all-d-metal Co<sub>2</sub>NiT (T = Ti and V) Heusler compounds

Lv, Tianyu; Li, Guijiang; Sun, Qihang; Zheng, Yi

doi:10.1039/d4tc01393j

J. Mater. Chem. C

2024

DOI: 10.1039/d4tc01393j

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Interface compatibility-induced quasi-volume-preserving martensitic phase transition in all-d-metal Co₂NiT (T = Ti and V) Heusler compounds

Tianyu Lv,

Guijiang Li,

Qihang Sun

et al.

Abstract: In this study, the quasi-volume-preserving martensitic phase transition in Co2NiV and Co2NiTi and the physical mechanism were investigated theoretically. Detailed studies reveal that the quais-volume-conserving martensitic phase transformation originates from...

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Electronic Structure Evolution during Martensitic Phase Transition in All-d-Metal Heusler Compounds: The Case of Pd₂MnTi

Li 李,

Wang 王,

Liu 刘

2024

Chinese Phys. Lett.

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In this study, taking Pd2MnTi as a representative example, the electronic structure evolution during martensitic phase transition in all-d-metal Heusler compounds was systematically studied and revealed theoretically. The calculation and theoretical analysis suggest that Pd2MnTi is not stable in cubic structure and prones to transform to low-symmetric tetragonal structure. By tetragonal deformation, the shrinkage of lattice parameters and the decrease of symmetry promote the electron accumulation between Pd and its first nearest neighboring Ti atom, resulting in the increased covalent hybridization. The occurrence of pesudogap in density of states (DOSs) of tetragonal Pd2MnTi near the Fermi level also verifies the enhancement of covalent bond. Comparatively, the stronger interatomic bond in tetragonal Pd2MnTi, i.e., covalent bond here, would strengthen interatomic coupling and consequently lower the energy of the material. By the martensitic phase transition, more stable state in energy was achieved. Thus, based on the analysis of electronic structure evolution, the nature of martensitic phase transition is a process wherein symmetry breaking weakens the original weak chemical bonds in high-symmetric parent phase and induces the strong chemical bond to lower the energy of the materials and achieve a more stable state. This study could help to deepen the understanding of martensitic phase transition and the exploration of novel materials for potential technical applications.

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Electronic Structure Evolution during Martensitic Phase Transition in All-d-Metal Heusler Compounds: The Case of Pd₂MnTi

Li 李,

Wang 王,

Liu 刘

2024

Chinese Phys. Lett.

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Interface compatibility-induced quasi-volume-preserving martensitic phase transition in all-d-metal Co₂NiT (T = Ti and V) Heusler compounds

Abstract: In this study, the quasi-volume-preserving martensitic phase transition in Co2NiV and Co2NiTi and the physical mechanism were investigated theoretically. Detailed studies reveal that the quais-volume-conserving martensitic phase transformation originates from...

Cited by 1 publication

References 58 publications

Electronic Structure Evolution during Martensitic Phase Transition in All-d-Metal Heusler Compounds: The Case of Pd₂MnTi

Electronic Structure Evolution during Martensitic Phase Transition in All-d-Metal Heusler Compounds: The Case of Pd₂MnTi

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Interface compatibility-induced quasi-volume-preserving martensitic phase transition in all-d-metal Co2NiT (T = Ti and V) Heusler compounds

Abstract: In this study, the quasi-volume-preserving martensitic phase transition in Co2NiV and Co2NiTi and the physical mechanism were investigated theoretically. Detailed studies reveal that the quais-volume-conserving martensitic phase transformation originates from...

Cited by 1 publication

References 58 publications

Electronic Structure Evolution during Martensitic Phase Transition in All-d-Metal Heusler Compounds: The Case of Pd2MnTi

Electronic Structure Evolution during Martensitic Phase Transition in All-d-Metal Heusler Compounds: The Case of Pd2MnTi

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Interface compatibility-induced quasi-volume-preserving martensitic phase transition in all-d-metal Co₂NiT (T = Ti and V) Heusler compounds

Electronic Structure Evolution during Martensitic Phase Transition in All-d-Metal Heusler Compounds: The Case of Pd₂MnTi

Electronic Structure Evolution during Martensitic Phase Transition in All-d-Metal Heusler Compounds: The Case of Pd₂MnTi