Study of Surface Effect in n-type SrTiO3/LaAlO3 Heterostructure by First Principle Calculations

Abstract

It is expected that the electronic properties of a heterostructure crucially de pends on the combination of atomic layers at the interface. But, we have shown that the properties also crucially depends on the termination of the substrate and epitaxial layers. We have studied two n-type SrTiO3/LaAlO3 heterostruc-ture, one starting with SrO and terminated with AlO2 and the other having TiO2 and LaO at the two ends. We show that in the rst case the system is insulating and in other case it is metallic even though the atomic layers at the interface is unchanged.