Na3VAs2 monolayer: A two-dimensional intrinsic room-temperature ferromagnetic half-metal with large desired perpendicular magnetic anisotropy

Recent experiments have proved that the intrinsic two-dimensional (2D) magnetism has aroused strong interest in the application of advanced spintronics. However, low Curie temperature and low magnetic anisotropy energy (MAE) greatly limit their application range. By density functional theory calculation, we predict a stable 2D Na3VAs2 monolayer, which shows intrinsic ferromagnetic (FM) order and a large MAE (570 & mu;eV per V atom). The Na3VAs2 monolayer has a local magnetic moment about 2 & mu;B/V. Monte Carlo simulation shows that the Curie temperature (TC) of Na3VAs2 monolayer is up to 305 K based on anisotropic Heisenberg mode. More interestingly, the 2D Na3VAs2 monolayer shows an ideal half-metallic abundance, and it still maintains half-metallic characteristics under various strains. In addition, this monolayer has good dynamic, thermal, and mechanical stability. The excellent properties of the Na3VAs2 monolayer makes it great potential to be used in spintronic devices.

Automated summary

Recent experiments have shown that two-dimensional (2D) magnetism has attracted strong interest in advanced spintronics applications. However, the limited Curie temperature and magnetic anisotropy energy (MAE) hinder their potential applications. Through density functional theory calculations, we have predicted a stable 2D monolayer of Na3VAs2, which exhibits intrinsic ferromagnetic (FM) order and a high MAE (570 μeV per V atom). Monte Carlo simulation reveals that this monolayer has a Curie temperature (TC) of up to 305 K based on anisotropic Heisenberg mode. In addition, the 2D Na3VAs2 monolayer exhibits ideal half-metallic properties, which are maintained under various strains, and possesses good dynamic, thermal, and mechanical stability. The exceptional properties of the Na3VAs2 monolayer make it a promising candidate for spintronic devices.