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

Abstract

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 μeV per V atom). The Na3VAs2 monolayer has a local magnetic moment about 2 μB/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.