We investigated the influence of Li and F adsorption on the ferromagnetism and magnetic anisotropy energy of CrBr₃ monolayer based on the first-principles calculations. It is observed that Li adsorption can dramatically enhance its ferromagnetism, and tune its easy magnetization axis to the in-plane direction from original out-of-plane. The monotonic enhancement of in-plane magnetism in CrBr₃ as the coverage of Li increases is attributed to electrostatic doping induced by charge transfer between Li atoms and Br atoms. By contrast, the F adsorption reduces the out-of-plane magnetism in CrBr₃ as the coverage of F increases, but keeps the original easy magnetization. Our results may open new promising applications of CrBr₃-based materials in spintronic devices.

中文翻译：

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磁性CrBr 3单层的可利用磁各向异性

基于第一性原理计算，我们研究了Li和F吸附对CrBr ₃单层的铁磁性和磁各向异性能的影响。可以看出，Li的吸附可以显着增强其铁磁性，并将其易磁化轴从原始平面外调整到平面内方向。随着Li的覆盖率增加，CrBr ₃中的面内磁性单调增强归因于由Li原子与Br原子之间的电荷转移引起的静电掺杂。相反，随着F的覆盖率增加，F吸附会降低CrBr ₃中的面外磁性，但保持原始的易磁化强度。我们的结果可能会开辟新的有前景的CrBr ₃应用自旋电子设备中基于材料的材料。