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Two-dimensional (2D) ferromagnets are popular in fields such as spintronic devices, but their low Curie temperature (Tc) limits their practical application. Therefore, finding and designing ferromagnets with high Tc is...

Magnetic anisotropy plays a vital role in stabilizing the long-range magnetic order of two-dimensional ferromagnetic systems. In this work, by using first-principles method, we systematically explored the triaxial magnetic anisotropic...

Two-dimensional (2D) ferromagnetism with robust room-temperature ferromagnetism has sparked intense interest for future miniature information storage devices. However, most 2D ferromagnetic materials have a low Curie temperature. Here, by using density functional theory, two rare-earth monolayers, the GdScSi monolayer and the GdScGe monolayer, were predicted, in which these two monolayers exhibit ferromagnetic orders with large magnetic moments of approximately 7 μB/Gd. Monte Carlo simulations predict Curie temperatures of approximately 470 K and 495 K for the 2D GdScSi monolayer and the GdScGe monolayer, respectively. The spin band calculations show that they are metal. In addition, these two monolayers exhibit dynamical, mechanical, and thermal stabilities. The combination of these novel magnetic properties makes these 2D ferromagnetic crystals promising candidates for high-efficiency spintronic applications.

Two-dimensional (2D) material is the promising for next-generation information technology. The recently discovered intrinsic magnetic crystals have simulated a renaissance in 2D spintronics, which provides an ideal platform for exploring novel physical phenomena. However, current experimental trial-and-error methods in discovering new spintronic material are still very expensive and challenging. In contrast, based on well-developed first-principles calculations, computationally designing the spintronic materials provides a more efficient way for exploring new ferromagnetic (FM) materials and understanding the nature of magnetic properties. Several predictions, such as CrI3 monolayer, CrGeTe3 bilayer, CrSBr monolayer, FeCl2 monolayer, and Fe3GeTe2 monolayer have been confirmed by experiments, showing the great performance of computational approaches. This minireview article attempts to give a brief of discovering intrinsic 2D spintronics from theoretical aspect, and in particular, we emphasize roles played by calculation based on first-principles methods in designing 2D FM materials and devices. The current challenges and proposals on future developments of 2D spintronics are also discussed.