Abstract
We present a comprehensive first-principles study of the electronic charge redistribution in atomically sharp LaAlO${}_{3}$/SrTiO${}_{3}$(001) heterointerfaces of both $n$ and $p$ types allowing for nonstoichiometric composition. Using two different computational methods within the framework of the density functional theory (linear combination of atomic orbitals and plane waves) we demonstrate that conducting properties of LaAlO${}_{3}$/SrTiO${}_{3}$(001) heterointerfaces strongly depend on termination of LaAlO${}_{3}$(001) surface. We argue that both the ``polar catastrophe'' and the polar distortion scenarios may be realized depending on the interface stoichiometry. Our calculations predict that heterointerfaces with a nonstoichiometric film---either LaO-terminated $n$ type or AlO${}_{2}$-terminated $p$ type---may exhibit the conductivity of $n$ or $p$ type, respectively, independently of LaAlO${}_{3}$(001) film thickness.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
