Intrinsic ferromagnetic Janus Cr2PAs monolayer with controllable magnetic anisotropy

Two-dimensional materials with intrinsic ferromagnetism, high Curie temperature and sizable magnetic anisotropy are promising candidates for the development of next-generation information technology. Based on first-principles calculations, we propose a new tetragonal Janus Cr2PAs monolayer, which is not only dynamically and thermally stable, but also shows ferromagnetism with a band gap of 0.718 eV. The predicted Curie temperature of Janus Cr2PAs monolayer is 794 K. Janus Cr2PAs monolayer exhibits an in-plane magnetic anisotropy of -0.260 meV/unit cell. Remarkably, the magnetization easy axis of Janus Cr2PAs monolayer changes from in-plane [100] to out-of-plane [001] direction with a critical hole doping at -0.6 e/unit cell. The perpendicular magnetic anisotropy increases with the further increase of hole concentration, it reaches up to 0.301 meV/As at concentration of -0.8 e/unit cell. The high Curie temperature and controllable magnetic anisotropy of Janus Cr2PAs monolayer make it a promising candidate for practical spintronic applications. (C) 2022 Elsevier B.V. All rights reserved.

Automated summary

A new tetragonal Janus Cr2PAs monolayer with intrinsic ferromagnetism, high Curie temperature, and controllable magnetic anisotropy is proposed based on first-principles calculations. This material exhibits a band gap of 0.718 eV and a predicted Curie temperature of 794 K. The magnetization easy axis changes with hole doping, and the perpendicular magnetic anisotropy increases with hole concentration. The high Curie temperature and controllable magnetic anisotropy make Janus Cr2PAs monolayer a promising candidate for practical spintronic applications.