Modulation of magnetic phase transition and magnetic anisotropy in CrSe2 monolayer under biaxial strain

Abstract

The discovery of two-dimensional magnetic materials paves the way for novel research directions and expands the applications of spintronics. In this study, we investigated the electronic structure and magnetic properties of the CrSe2 monolayer under different biaxial strains using first-principles calculations. Our results suggest that the ground state of the CrSe2 monolayer is both antiferromagnetic and metallic, with a Curie temperature of 76 K. Under a 6% tensile biaxial strain, the CrSe2 monolayer transitions from an antiferromagnetic ground state to a ferromagnetic state. Furthermore, the magnetization direction of the magnetic anisotropy energy transitions from the in-plane direction to the out-of-plane direction. Remarkably, the CrSe₂ monolayer exhibits a Curie temperature of 336 K at 12% tensile biaxial strain. Our study advances the understanding of the magnetic properties of the CrSe2 monolayer, highlighting its potential for future nanoelectronic applications.