Hole-Doping-Induced Perpendicular Magnetic Anisotropy and High Curie Temperature in a CrSX (X = Cl, Br, I) Semiconductor Monolayer.

ABSTRACT: A large perpendicular magnetic anisotropy and a high Curie temperature (T_C) are crucial for the application of two-dimensional (2D) intrinsic ferromagnets to spintronic devices. Here, we investigated the electronic and magnetic properties of carrier-doped Van der Waals layered CrSX (X = Cl, Br, I) ferromagnets using first-principles calculations. It was found that hole doping can increase the magnitude of the magnetic anisotropy energy (MAE) and change the orientation of the easy magnetization axis at small doping amounts of 2.37 × 10¹³, 3.98 × 10¹², and 3.33 × 10¹²/cm² for CrSCl, CrSBr, and CrSI monolayers, respectively. The maximum values of the MAE reach 57, 133, and 1597 μeV/u.c. for the critical hole-doped CrSCl, CrSBr, and CrSI w

SUBMITTER: Han R 

PROVIDER: S-EPMC10745588 | biostudies-literature | 2023 Dec

REPOSITORIES: biostudies-literature