Robust half-metallic properties in two-dimensional CuCr2Se2X2(X = Cl, Br, I).

Abstract

In recent years, the rapid development of two-dimensional (2D) magnetic materials has revolutionized the field of spintronics, driven by their unique ability to combine magnetism and electronic functionality at the atomic scale. Here, we investigate the monolayer CuCr₂Se₂X₂(X = Cl, Br, I), which exhibit robust ferromagnetic (FM) behavior and half-metallicity with 100% spin polarization. The strong FM coupling, mediated by superexchange interactions, is rooted in the unique electronic structure of the Crd-orbitals. Our findings reveal high Curie temperatures (TC) exceeding room temperature, with the Br variant achieving a remarkable 586 K. These exceptional properties, including the ability to modulate exchange interactions through strain engineering, highlight CuCr₂Se₂X₂as a versatile platform for flexible, high-performance spintronic devices, paving the way for advancements in next-generation electronic applications.