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A pronounced uniform polar distortion extending over several unit cellsenables thin LaAlO3 overlayers on SrTiO3(001) to counteract the charge dipoleand thereby neutralize the "polarization catastrophe" that is suggested bysimple ion-counting. This unanticipated mechanism, obtained from densityfunctional theory calculations, allows several unit cells of the LaAlO3overlayer to remain insulating (hence, fully ionic). The band gap of thesystem, defined by occupied O $2p$ states at the surface and unoccupied Ti 3dstates at the interface in some cases $\sim$20 \AA distant, decreases withincreasing thickness of the LaAlO3-film before an insulator-to-metal transitionand a crossover to an electronic reconstruction occurs at around fivemonolayers of LaAlO3.

Avoiding the polarization catastrophe in LaAlO3 overlayers on SrTiO3(001) through a polar distortion