Where J1, J2 and J3 are all defined as nearest neighbor exchange parameters, representing Cr-Cr coupling, Cr-Ni coupling and Ni-Ni coupling respectively, and S is the spin operator. By integrating the spin density of the corresponding magnetic state of Ni1/CrBr3, as shown in Figure ) and substituting the energy obtained from the DFT calculation into eq 13, the following result was obtained: FIM 0 12 6