Atomic and electronic structure of the SrNbO₃/SrNbO_3.4 interface

We have determined the atomic-scale structure of the SrNbO3/SrNbO3.4 interface and related it to the electronic structure. Experimentally, transmission electron microscopy observations reveal that SrNbO3 and SrNbO3.4 show orientation relationships [1¯10]SrNbO3// [010]SrNbO3.4 and (110)SrNbO3 // (001)SrNbO3.4, and that their interface is coherent and atomically abrupt. Theoretically, this interface is found to be strongly anisotropic in electronic structure, and takes on quasi-one-dimensional nature. We also find that the interface impacts greatly the electron occupation of Nb d orbitals, particularly dz2 orbital. The combined study represents a relevant advance in atomically bridging structures to properties of heterointerfaces.