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

Zhong, Zhi-Cheng and Kelly, Paul J. (2008) Electronic-structure-induced reconstruction and magnetic ordering at the LaAlO3|SrTiO3 interface. Europhysics Letters, 84 (2). p. 27001. ISSN 0295-5075

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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.
Item Type:	Article
Copyright:	© 2008 IOP Science
Faculty:	Science and Technology (TNW)
Research Group:	Computational Materials Science (CMS)
Link to this item:	http://purl.utwente.nl/publications/61326
Official URL:	http://dx.doi.org/10.1209/0295-5075/84/27001
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