Nanomaterials (Basel, Switzerland)
From MAX to MXene: Unveiling Robust Magnetism and Half-Metallicity in Cr2ZnC and Its Half-Metallic 2D Cr2C Through Ab-Initio Investigation.
Ahmed Lokbaichi, Ahmed Gueddouh, Djelloul Gueribiz, Mourad Rougab, Brahim Lagoun, Fatima Elhamra, Ahmed Mahammedi, Brahim Marfoua
Published: 202610.3390/nano16020110
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 framewor…
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