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. 2025 Aug 22;11(34):eadw6673. doi: 10.1126/sciadv.adw6673

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