Effect of oxygen vacancy on antisite disorder in LaFeO3/LaMnO3 heterostructure: A first-principles study.

We study the effect of O-vacancy on the anti-site disorder in LaFeO3/LaMnO3 heterostructure using density function theory (DFT). Anti-site defect is found to be favorable in this system with large charge transfer across the interface. However, introduction of 25% O-vacancy at the interface prevents the anti-site disorder and helps to stabilize the ordered structure. [ABSTRACT FROM AUTHOR]