Table 1 Classical energies and the relative energies ΔE (eV/supercell) for five spin configurations in the BFO
Spin Config. | Interface Spins | (Ei− E0)/S2 | ΔE (eV) |
---|---|---|---|
AFM-G0 | AFM | 0 | 0 |
AFM-G1 | FM |
| −0.06759 |
AFM-G2 | AFM |
| 0.04898 |
AFM-G3 | AFM |
| 0.89778 |
AFM-G4 | AFM |
| 0.40919 |