“…50 Considering the structural characteristics of monolayer ScCl, the 2D periodic boundary conditions were adopted and 1 × 10 6 iterations were calculated for each spin flip in a 30 × 30 × 1 supercell. In addition, based on the 2D Ising model, 51–54 the Hamiltonian of monolayer ScCl can be expressed as follows:
where J represents the exchange coupling between the nearest magnetic atoms (Sc), D represents the magnetocrystalline anisotropy of the monolayer ScCl, and h represents the longitudinal magnetic field intensity exerted on the system. S z i in the formula represents the spin value projection of the i th magnetic atom along the z direction, where the projected values are discrete ( S z i = ±1/2).…”