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Investigation of the magneto-electronic, mechanical and transport proprieties of DyFe3N12: DFT computation.

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Title: Investigation of the magneto-electronic, mechanical and transport proprieties of DyFe3N12: DFT computation.
Authors: Chefa, A.1 (AUTHOR), Berrahal, M.2 (AUTHOR), Mir, A.1 (AUTHOR), Keramsi, F.3 (AUTHOR), Azzaz, Y.4 (AUTHOR), Bentouaf, A.4,5 (AUTHOR) ali.bentouaf@univ-saida.dz
Source: European Physical Journal B: Condensed Matter. Jun2025, Vol. 98 Issue 6, p1-11. 11p.
Subjects: Density functional theory, Plane wavefronts, Density of states, Crystal structure, Spintronics
Abstract: In this work, we performed a theoretical investigation of the DyFe₃Ni₁₂ alloy using the Full-Potential Linearized Augmented Plane Wave (FP-LAPW) method, within the framework of Density Functional Theory (DFT) and the Local Spin Density Approximation (LSDA). The results confirm that DyFe₃Ni₁₂ stabilizes in a cubic crystal structure, and the magnetic stability analysis reveals a ferromagnetic ordering. Furthermore, the calculations of the density of states (DOS) and band structure indicate the metallic nature of the compound. Mechanical stability was also assessed, with calculations of key mechanical parameters supporting its robustness. Thermoelectric estimations suggest that DyFe₃Ni₁₂ holds great promise for applications in spintronics and phonon scattering devices. [ABSTRACT FROM AUTHOR]
Copyright of European Physical Journal B: Condensed Matter 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: Investigation of the magneto-electronic, mechanical and transport proprieties of DyFe<subscript>3</subscript>N<subscript>12</subscript>: DFT computation.
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  Data: <searchLink fieldCode="JN" term="%22European+Physical+Journal+B%3A+Condensed+Matter%22">European Physical Journal B: Condensed Matter</searchLink>. Jun2025, Vol. 98 Issue 6, p1-11. 11p.
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  Data: <searchLink fieldCode="DE" term="%22Density+functional+theory%22">Density functional theory</searchLink><br /><searchLink fieldCode="DE" term="%22Plane+wavefronts%22">Plane wavefronts</searchLink><br /><searchLink fieldCode="DE" term="%22Density+of+states%22">Density of states</searchLink><br /><searchLink fieldCode="DE" term="%22Crystal+structure%22">Crystal structure</searchLink><br /><searchLink fieldCode="DE" term="%22Spintronics%22">Spintronics</searchLink>
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  Data: In this work, we performed a theoretical investigation of the DyFe₃Ni₁₂ alloy using the Full-Potential Linearized Augmented Plane Wave (FP-LAPW) method, within the framework of Density Functional Theory (DFT) and the Local Spin Density Approximation (LSDA). The results confirm that DyFe₃Ni₁₂ stabilizes in a cubic crystal structure, and the magnetic stability analysis reveals a ferromagnetic ordering. Furthermore, the calculations of the density of states (DOS) and band structure indicate the metallic nature of the compound. Mechanical stability was also assessed, with calculations of key mechanical parameters supporting its robustness. Thermoelectric estimations suggest that DyFe₃Ni₁₂ holds great promise for applications in spintronics and phonon scattering devices. [ABSTRACT FROM AUTHOR]
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  Data: <i>Copyright of European Physical Journal B: Condensed Matter 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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        Value: 10.1140/epjb/s10051-025-00953-y
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        Text: English
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      – SubjectFull: Plane wavefronts
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      – SubjectFull: Density of states
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      – SubjectFull: Crystal structure
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      – TitleFull: Investigation of the magneto-electronic, mechanical and transport proprieties of DyFe3N12: DFT computation.
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              M: 06
              Text: Jun2025
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