Magnetic Half-Metals with High Curie Temperature: Two-Dimensional Monolayer Fecoz2 and Fevx2

Abstract

Two-dimensional magnetic monolayer materials with half-metallic properties have high surface activity and easy regulation, which means that it has a wide range of applications in spin electronics. However, two-dimensional magnetic monolayer materials with high curie temperature and large magnetic anisotropy energy (MAE) are rarely reported. Based on the first principle, we calculate the stability, electronic structure, magnetic, strain engineering, magnetic anisotropy, and curie temperature of monolayer FeCoZ2 (Z=Cl, Br), FeVX2 (X=Se, Te). The computing of the large MAE proves that the material has an easy axis of magnetization, and the Monte Carlo method based on the Heisenberg model estimates the FeCoZ2 (Z=Cl, Br), FeVX2 (X=Se, Te), the Curie temperature, 550 k, 510k, 550k, 460K. In addition, in the case of strain regulation, the materials still have good half-metallic attributes and curie temperature. In view of the above nature, the two-dimensional monolayer FeCoZ2 , FeVX2 will be a candidate material for spin electronic devices.

Keywords: 2D material, Half-metal, Curie temperature, Monte Carlo method