Electronic and magnetic properties of () monolayer and bilayer structures under strain
Phys. Rev. Applied 25, 014037 – Published 15 January, 2026
DOI: https://doi.org/10.1103/btqb-5vh2
Abstract
Two-dimensional magnetic materials are promising candidates for next-generation spintronic devices because their magnetic order can be tuned by external factors, such as strain. In this work, we study () in monolayer and bilayer forms through density-functional-theory calculations combined with Monte Carlo simulations and present a comprehensive picture of their structural, electronic, and magnetic behavior under biaxial strain. With respect to the monolayer configurations, the structure exhibits a planar geometry and semiconducting properties, whereas the structure adopts a buckled morphology and demonstrates metallic behavior. Both ML- and ML- are characterized by dynamic and thermal stability. In contrast, other pnictogen-containing monolayers, including , , and , display structural instability. Under applied biaxial strain, the electronic character of ML- changes from metallic to semiconducting, while ML- maintain their semiconducting nature. In the bilayer counterparts, interlayer interactions enhance magnetic moments and alter overall stability compared with those in the monolayers. Monte Carlo simulations reveal strain-driven magnetic phase transitions together with significant variations in transition temperatures. The Curie temperature reaches about 980 K in the ferromagnetic regime of and around 300 K in the unstrained ferromagnetic state of . BL- remains antiferromagnetic under strain but switches between different antiferromagnetic configurations with transition temperatures in the several-hundred-kelvin range, while BL- exhibits a strain-induced ferromagnetic phase with a transition temperature close to 133 K. These findings demonstrate the potential of -based two-dimensional systems for strain-controlled and thermally robust low-power spintronic applications.
