Two-dimensional monolayer CrGaS3: A ferromagnetic semiconductor with high Curie temperature and tunable magnetic anisotropy

Abstract

Two-dimensional (2D) intrinsic ferromagnetic (FM) materials are promising candidates for fabricating next generation high-performance spintronic devices. However, all experimentally verified 2D FM semiconductors have Curie temperature (Tc) far below room temperature, which hinders their practical applications. Based on first-principles calculations, a stable and previously undiscovered 2D CrGaS3 structure is predicted, which is a semiconductor with an indirect bandgap of 1.99 eV and displays out-of-plane magnetic anisotropy. More importantly, it exhibits high-temperature ferromagnetism, with Tc ranging between 520 and 814 K. The high Tc is attributed to the presence of both direct-exchange and super-exchange interactions that are ferromagnetic, along with the eg-px/py-eg super exchange having a zero virtual exchange gap. Furthermore, it has been observed that the magnetic anisotropy can be tuned by external strain. These findings indicate its potential as a promising candidate for the rapid development of 2D spintronic applications.