The magnetism of two-dimensional van der Waals materials has attracted significant attention due to its potential for novel spintronic applications. Strain engineering has emerged as a powerful tool for manipulating the magnetic properties of these materials. Based on density functional theory, the regulation effect of uniaxial strain on the magnetic coupling of the CrSeTe monolayer is systematically studied. We calculate the magnetic exchange constants using the first-principles linear-response method and find that the magnetic structure is dominated by $J_{1a}$ and $J_{1ab}$. The results show that the tensile strain along the $a$ axis significantly enhances $J_{1a}$, while the tensile strain along the $a$ axis or $b$ axis strengthens $J_{1ab}$. However, based on the same lattice constants as the experiment, our preliminary phase diagram predictions indicate that the magnetic ground state is ferromagnetic. It is inconsistent with the experimentally observed zigzag antiferromagnetic sequence. Therefore, the structure of the CrSeTe monolayer has been optimized based on various antiferromagnetic sequences, and the magnetic phase diagram has been reconstructed. The optimized results are in good agreement with the experimental observations, indicating that structural optimization plays a key role in understanding the magnetic properties of the CrSeTe monolayer. This study provides a theoretical foundation for strain-regulated magnetism in two-dimensional van der Waals materials, paving the way for future experimental research and device design.

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• Magnetic interactions
• Magnetic order
• Strain
• 2-dimensional systems
• First-principles calculations