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The diverse functionality emerging at oxide interfaces calls for afundamental understanding of the mechanisms and control parameters ofelectronic reconstructions. Here, we explore the evolution of electronic phasesin (LaAlO3)M/(SrTiO3)N(001) superlattices as a function of strain andconfinement of the SrTiO3 quantum well. Density functional theory calculationsincluding a Hubbard U term reveal a charge ordered Ti3+ and Ti4+ state for N=2with an unanticipated orbital reconstruction, displaying alternating dxz anddyz character at the Ti3+ sites, unlike the previously reported dxy state,obtained only for reduced c-parameter at aSTO. At aLAO c-compression leads to aDimer-Mott insulator with alternating dxz, dyz sites and an almost zero bandgap. Beyond a critical thickness of N=3 (aSTO) and N=4 (aLAO) aninsulator-to-metal transition takes place, where the extra e/2 electron at theinterface is redistributed throughout the STO slab with a dxy interface orbitaloccupation and a mixed dxz + dyz occupation in the inner layers. Chemicalvariation of the SrTiO3 counterpart (LaAlO3 vs. NdGaO3) proves that thesignificant octahedral tilts and distortions in the STO quantum well areinduced primarily by the electrostatic doping at the polar interface and not byvariation of the STO counterpart.

Control of orbital reconstruction in (LaAlO$_3$)$_M$/(SrTiO$_3$)$_N$(001) quantum wells by strain and confinement