Spin Reorientation and Reentrant-like Magnetization in Bi-MXene-Inspired Nanostructures: A Monte Carlo Investigation

This study utilizes Monte Carlo simulations to investigate the magnetic behavior of a bilayer nanostructure inspired by Bi-MXene. We observed a reentrant-like magnetization behavior, characterized by a sign reversal of the total magnetization at low temperature, induced by the reorientation of the sublattice spins. Quantitative analysis reveals that for a crystal field D = -1, the system exhibits a total magnetization Mtot = 1.25 at very low temperatures, with a blocking temperature (T B ) of approximately 10.28. We demonstrate that this phenomenon is highly controllable; increasing the crystal field to D = -3 suppresses reentrant-like behavior, while increasing the intra-layer coupling from J 1 = -1 to J 1 = -3 significantly shifts the T B from 9.88 to 18.94. Furthermore, the application of an external magnetic field (H ≥ 1) effectively stabilizes the spin alignment and suppresses this reentrant-like behavior. These quantitative results provide fundamental insights into complex magnetic phenomena by elucidating the delicate energy balance between sublattice anisotropy and exchange interactions, highlighting the potential of these nanostructures for advanced applications in magnetic memories, spintronics, and sensors.