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Compressive Evaluation of Structural, Electronic, Elastic, and Magnetic Features of Ni2XAl (X = V, Fe) Heusler Alloys: A DFT Insight.

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Title: Compressive Evaluation of Structural, Electronic, Elastic, and Magnetic Features of Ni2XAl (X = V, Fe) Heusler Alloys: A DFT Insight.
Authors: Sehoul, Baghdad1 (AUTHOR), Das, Tanmayee2 (AUTHOR), Dutta, Ashim2 (AUTHOR) dutta_d@aol.com, Al-Muhimeed, Tahani I.3 (AUTHOR), Ahmad, Syed Haseeb Ali4 (AUTHOR)
Source: Journal of Superconductivity & Novel Magnetism. Feb2025, Vol. 38 Issue 1, p1-11. 11p.
Subjects: Heusler alloys, Elastic analysis (Engineering), Density functional theory, Structural optimization, Plane wavefronts
Abstract: The physical properties of Ni2XAl (X = V, Fe) alloys were investigated using the full-potential linearized augmented plane wave (FP-LAPW) method based on density functional theory (DFT), employing the Wien2K code. The generalized gradient approximation (GGA) was applied for the exchange and correlation potential (XC) during structural optimization. The elastic analysis indicates that both Ni2VAl and Ni2FeAl alloys are mechanically stable. Ni2FeAl is a spin-magnetic alloy that crystallizes in a stable cubic structure, while Ni2VAl is a non-magnetic alloy with a stable L21 cubic structure. Our study reveals that Ni2VAl exhibits metallic characteristics in its electronic properties, and similarly, Ni2FeAl demonstrates metallic behavior in both spin-up and spin-down states. Regarding magnetism, Ni2VAl is non-magnetic, in contrast to the magnetic Ni2FeAl. These findings suggest that Ni2XAl (X = V, Fe) alloys are promising candidates for future applications in spintronics. [ABSTRACT FROM AUTHOR]
Copyright of Journal of Superconductivity & Novel Magnetism is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: Compressive Evaluation of Structural, Electronic, Elastic, and Magnetic Features of Ni<subscript>2</subscript>XAl (X = V, Fe) Heusler Alloys: A DFT Insight.
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Superconductivity+%26+Novel+Magnetism%22">Journal of Superconductivity & Novel Magnetism</searchLink>. Feb2025, Vol. 38 Issue 1, p1-11. 11p.
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  Data: <searchLink fieldCode="DE" term="%22Heusler+alloys%22">Heusler alloys</searchLink><br /><searchLink fieldCode="DE" term="%22Elastic+analysis+%28Engineering%29%22">Elastic analysis (Engineering)</searchLink><br /><searchLink fieldCode="DE" term="%22Density+functional+theory%22">Density functional theory</searchLink><br /><searchLink fieldCode="DE" term="%22Structural+optimization%22">Structural optimization</searchLink><br /><searchLink fieldCode="DE" term="%22Plane+wavefronts%22">Plane wavefronts</searchLink>
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  Data: The physical properties of Ni2XAl (X = V, Fe) alloys were investigated using the full-potential linearized augmented plane wave (FP-LAPW) method based on density functional theory (DFT), employing the Wien2K code. The generalized gradient approximation (GGA) was applied for the exchange and correlation potential (XC) during structural optimization. The elastic analysis indicates that both Ni2VAl and Ni2FeAl alloys are mechanically stable. Ni2FeAl is a spin-magnetic alloy that crystallizes in a stable cubic structure, while Ni2VAl is a non-magnetic alloy with a stable L21 cubic structure. Our study reveals that Ni2VAl exhibits metallic characteristics in its electronic properties, and similarly, Ni2FeAl demonstrates metallic behavior in both spin-up and spin-down states. Regarding magnetism, Ni2VAl is non-magnetic, in contrast to the magnetic Ni2FeAl. These findings suggest that Ni2XAl (X = V, Fe) alloys are promising candidates for future applications in spintronics. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
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  Data: <i>Copyright of Journal of Superconductivity & Novel Magnetism is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Text: English
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        PageCount: 11
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      – SubjectFull: Heusler alloys
        Type: general
      – SubjectFull: Elastic analysis (Engineering)
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      – SubjectFull: Density functional theory
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      – SubjectFull: Structural optimization
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      – SubjectFull: Plane wavefronts
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      – TitleFull: Compressive Evaluation of Structural, Electronic, Elastic, and Magnetic Features of Ni2XAl (X = V, Fe) Heusler Alloys: A DFT Insight.
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              Text: Feb2025
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