Charge accumulation in nonpolar perovskite quantum well sandwiched by polar Mott-insulating perovskites

We theoretically examine the possibility of having charge accumulation in the (LaTiO3)$_{n}$/Ba2VO4/(LaTiO3)$_{n}$ layered oxide quantum well system with polar barrier material and non-polar quantum well material using a LDA+U approach. The charge accumulation we find reflects electronic reconstruction which tends to occur near polar/nonpolar heterojunctions. We find enormous orbital reconstruction and both antiferromagnetic and ferromagnetic local in different planes. Lattice relaxation in the structure was allowed as a partial test of the robustness of LDA+U predictions for the properties of this system.