Strain-tunable electronic and magnetic properties of two-dimensional CrSBr material

Abstract Two-dimensional (2D) materials, particularly those with intrinsic magnetism, hold promise for next-generation spintronic devices due to their unique electronic and magnetic properties. This study investigates the impact of in-plane uniaxial and biaxial strain on the properties of monolayer CrSBr using density functional theory (DFT) and Monte Carlo (MC) simulations. We demonstrate that strain engineering can effectively modulate the electronic band structure and Curie temperature (T c ) of the CrSBr monolayer. Under uniaxial strains, transitions from indirect to direct bandgaps are observed, enhancing semiconductor characteristics. Importantly, compressive strain along the y-direction significantly increases T c , potentially approaching room temperature. These findings highlight the role of strain manipulation in tailoring the functionality of 2D magnetic materials, crucial for advancing spintronics and nanoelectronic applications.