1. Cr2NX2 MXene (X = O, F, OH): A 2D ferromagnetic half-metal.
- Author
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Sun, Qian, Li, Jie, Li, Yi, Yang, Zongxian, and Wu, Ruqian
- Subjects
- *
TRANSITION metal nitrides , *FERROMAGNETIC materials - Abstract
Using the spin-polarized first-principles calculations, we revealed that two-dimensional transition metal nitride MXenes Cr2NX2 (X = O, F, OH) are excellent two-dimensional half-metallic ferromagnetic materials. Their structures and ferromagnetic ground states are stable well above room temperature. In addition, their large half-metal bandgaps are enough to prevent spin reversal and ensure high spin filtering efficiency and large spin mean free paths. The half-metallic property of these functionalized Cr2NX2 systems is robust and can be maintained under tensile strains up to 10%. These predictions suggest that the functionalized Cr2NX2 is of great significance for the development of highly efficient spintronic devices for room temperature applications. [ABSTRACT FROM AUTHOR]
- Published
- 2021
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