Table 2. Projected Magnetic Moment on Each Ni Site (Mu), Exchange Energy (Eex), Electronic Band Gap (Eg), Nearest-Neighboring Exchange Parameter (J), and Curie Temperature (TC).
compound | Mu (μB) | Eex (eV) | Eg (eV) | J (meV) | TC (K) |
---|---|---|---|---|---|
NiCl2 | 1.63 | 11.2 | 2.60 | 2.8 | ∼120 |
NiBr2 | 1.57 | 12.6 | 1.97 | 3.2 | ∼140 |
NiI2 | 1.46 | 15.4 | 1.24 | 3.9 | ∼170 |