Table 1. Magnetic properties of SrX (X = S, Se) monolayers substituted with P and As atoms.
| System | Supercell | Ground state | ΔE (meV) | Jeff (meV) | TCMFA (K) | TC (K) |
|---|---|---|---|---|---|---|
| SrS | 8 × 4 | FM | 98 | 49 | 187 | 114 |
| 12 × 6 | FM | 81 | 41 | 154 | 94 | |
| SrSe | 8 × 4 | FM | 154 | 77 | 286 | 175 |
| 12 × 6 | FM | 136 | 68 | 252 | 154 |
The energy differences ΔEFM−AFM between the ferromagnetic ground state and the antiferromagnetic metastable state. The effective exchange coupling parameter Jeff. mean field Curie temperature TCMFA of the ferromagnetic state are estimated from our DFT total energy calculations. The Curie temperature TC are estimate by using an empirical relation TC/TCMFA = 0.61.