Journal
AIP ADVANCES
Volume 11, Issue 8, Pages -Publisher
AIP Publishing
DOI: 10.1063/5.0059324
Keywords
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Funding
- China Postdoctoral Science Foundation [2020M680306]
- Fundamental Research Funds for the Central Universities [ZY2020]
- National Natural Science Foundation of China [11604008]
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The ferromagnetic properties of ultrathin CrCl3 and CrBr3 are studied using first-principles calculations, revealing that the adsorption of Li atoms enhances their ferromagnetism. The investigation of bilayer structures indicates that the stacking mode can affect the ferromagnetic stability.
Two-dimensional ferromagnetic materials have attracted much attention for their potential application in information technology. The ferromagnetic properties of ultrathin CrCl3 and CrBr3 are investigated based on first-principles calculations. We find that adsorption of Li atoms results in half-metallic properties of ultrathin CrCl3 and CrBr3 and enhances the ferromagnetism in which the enhancement is not affected by the number of layers and the concentration of the adsorbed Li atoms, and the calculated forming energy and the diffusion process indicate that all structures are achievable. The investigation of bilayer structures shows that the stacking mode can affect their ferromagnetic stability.
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