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From MAX to MXene: Unveiling Robust Magnetism and Half-Metallicity in Cr 2 ZnC and Its Half-Metallic 2D Cr 2 C Through Ab-Initio Investigation.

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Title: From MAX to MXene: Unveiling Robust Magnetism and Half-Metallicity in Cr 2 ZnC and Its Half-Metallic 2D Cr 2 C Through Ab-Initio Investigation.
Authors: Lokbaichi, Ahmed1,2 (AUTHOR), Gueddouh, Ahmed2,3,4 (AUTHOR), Gueribiz, Djelloul1,3 (AUTHOR), Rougab, Mourad3,4 (AUTHOR), Lagoun, Brahim3,5 (AUTHOR), Elhamra, Fatima1,3,4 (AUTHOR), Mahammedi, Ahmed2,3 (AUTHOR), Marfoua, Brahim3,5 (AUTHOR)
Source: Nanomaterials (2079-4991). Jan2026, Vol. 16 Issue 2, p110. 23p.
Subjects: Magnetism, Spintronics, Chromium carbide, Transition metal carbides, Two-dimensional materials (Nanotechnology), Semimetals
Abstract: A first-principles investigation was conducted to characterize the novel Cr2ZnC MAX phase and its exfoliated MXene nanosheet, Cr2C. The study critically examines the effect of electron correlations on the bulk phase, revealing that the PBE+U framework, unlike standard PBE, yields a dramatically enhanced magnetic moment of 12.80 μB (vs. 1.88 μB), confirming the necessity of this approach for Cr-based carbides. The phase stability is confirmed through rigorous analysis of its thermodynamic, dynamic, and mechanical properties. For the derived 2D Cr2C, results confirm a robust half-metallic state with a total magnetic moment of 8.00 μB, characterized by a metallic spin-majority channel and a semiconducting spin-minority channel with a 2.41 eV direct gap, leading to near-ideal spin polarization. These combined features establish Cr2C as a highly promising candidate for next-generation spintronic applications and 2D magnetic devices requiring room-temperature stability. [ABSTRACT FROM AUTHOR]
Copyright of Nanomaterials (2079-4991) is the property of MDPI 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: From MAX to MXene: Unveiling Robust Magnetism and Half-Metallicity in Cr 2 ZnC and Its Half-Metallic 2D Cr 2 C Through Ab-Initio Investigation.
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  Data: <searchLink fieldCode="JN" term="%22Nanomaterials+%282079-4991%29%22">Nanomaterials (2079-4991)</searchLink>. Jan2026, Vol. 16 Issue 2, p110. 23p.
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  Data: <searchLink fieldCode="DE" term="%22Magnetism%22">Magnetism</searchLink><br /><searchLink fieldCode="DE" term="%22Spintronics%22">Spintronics</searchLink><br /><searchLink fieldCode="DE" term="%22Chromium+carbide%22">Chromium carbide</searchLink><br /><searchLink fieldCode="DE" term="%22Transition+metal+carbides%22">Transition metal carbides</searchLink><br /><searchLink fieldCode="DE" term="%22Two-dimensional+materials+%28Nanotechnology%29%22">Two-dimensional materials (Nanotechnology)</searchLink><br /><searchLink fieldCode="DE" term="%22Semimetals%22">Semimetals</searchLink>
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  Data: A first-principles investigation was conducted to characterize the novel Cr2ZnC MAX phase and its exfoliated MXene nanosheet, Cr2C. The study critically examines the effect of electron correlations on the bulk phase, revealing that the PBE+U framework, unlike standard PBE, yields a dramatically enhanced magnetic moment of 12.80 μB (vs. 1.88 μB), confirming the necessity of this approach for Cr-based carbides. The phase stability is confirmed through rigorous analysis of its thermodynamic, dynamic, and mechanical properties. For the derived 2D Cr2C, results confirm a robust half-metallic state with a total magnetic moment of 8.00 μB, characterized by a metallic spin-majority channel and a semiconducting spin-minority channel with a 2.41 eV direct gap, leading to near-ideal spin polarization. These combined features establish Cr2C as a highly promising candidate for next-generation spintronic applications and 2D magnetic devices requiring room-temperature stability. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
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  Data: <i>Copyright of Nanomaterials (2079-4991) is the property of MDPI 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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      – SubjectFull: Chromium carbide
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      – SubjectFull: Transition metal carbides
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      – SubjectFull: Two-dimensional materials (Nanotechnology)
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      – SubjectFull: Semimetals
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      – TitleFull: From MAX to MXene: Unveiling Robust Magnetism and Half-Metallicity in Cr 2 ZnC and Its Half-Metallic 2D Cr 2 C Through Ab-Initio Investigation.
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              Text: Jan2026
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