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. 2017 Apr 5;7:45869. doi: 10.1038/srep45869

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.