Figure 5

First principles simulations of atomic structures at the BM-SFO/STO(001) and BM-SFO/SRO(001) interfaces. Four layers of BM-SFO with growth directions along the a- and b-axes were placed on two layers of STO (or SRO). For b-axis growth, two different interfacial structures having FeO and FeO2 layers at the interface were calculated. The Sr, Fe, Ti (Ru) cations, and O atoms are displayed by green, violet, grey, and red spheres, respectively. The atomic configurations of BM-SFO at the interfaces are highlighted by blue rectangles.