Magnetic switching and quantization of bandgap in 2D graphene-like CrP3†

Abstract

In this study, we theoretically investigate the magnetoelectric and magnetoelastic properties of the novel two-dimensional magnetic material CrP₃ with two different structures, among which the graphene-like CrP₃ structure exhibits ferromagnetism. Interestingly, its perpendicular magnetic anisotropy and magnetic ground state are sensitive to external pressure, exhibiting magnetic switching behavior. The system exhibits half-metallic properties, but the magnetic changes induced by external mechanical strain and electronic properties show multifaceted coupling phenomena. The transformation from a magnetic half-metal to a magnetic semiconductor can be observed under tensile strain. Furthermore, under a tensile strain of 3%, as the direction of the magnetic moment rotates, the band gap exhibits the quantizing phenomenon. These findings demonstrate that two-dimensional magnetic CrP₃ provides an ideal platform for quantum information processing and the study of novel physical effects.