Electronic-structure–induced reconstruction and magnetic ordering at the LaAlO3|SrTiO3 interface

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Published 10 September 2008 Europhysics Letters Association
, , Citation Zhicheng Zhong and Paul J. Kelly 2008 EPL 84 27001 DOI 10.1209/0295-5075/84/27001

0295-5075/84/2/27001

Abstract

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 U. Recent experimental evidence for magnetic interface ordering may be understood in terms of the close proximity of an antiferromagnetic insulating ground state to a ferromagnetic metallic excited state.

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10.1209/0295-5075/84/27001