Table 2. SESSA simulation settings for the 5nm LaMnO3/5nm LaFeO3/Nb:SrTiO3 heterostructure.
The different rows represent the different layers, and the columns contain the simulation parameters.
| Layer | Thickness (Å) | Density (g/cm3) | Valence electrons | Bandgap | Chemical shift (eV) | |
|---|---|---|---|---|---|---|
| SrTiO3 | – | 4.96 | 28 | – | Ti 3s | 4.1 |
| LaFeO3 | 50 | 6.51 | 28 | 2.65 | Fe 3p | 2.8 |
| LaMnO3 | 50 | 6.57 | 28 | 1.02 | Mn 3p | 1.6 |