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Electronic-structure–induced reconstruction and magnetic ordering at the LaAlO <sub>3</sub> |SrTiO <sub>3</sub> interface
Using local density approximation (LDA) calculations we predict GdFeO3-like rotation of TiO6 octahedra at the n-type interface between LaAlO3 and SrTiO3. This results in a narrowing of the Ti d bandwidth by 1/3 so that LDA+U calculations predict an antiferromagnetic, charge- and spin-ordered ground state for very modest values of …