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MM: Fachverband Metall- und Materialphysik

MM 33: Topical Session Electron Theory IV

MM 33.3: Topical Talk

Thursday, March 17, 2011, 12:00–12:30, IFW A

Strain effects in magnetic and ferroelectric complex oxides from first principles — •Claude Ederer — School of Physics, Trinity College, Dublin 2, Ireland

For many applications complex functional oxides are epitaxially grown on substrates with slightly mismatched lattice constants. The resulting epitaxial strain can have drastic effects on the functional properties of the thin film materials, and in fact provides an attractive way to optimize ferroic properties or stabilize new phases. First principles electronic structure calculations are a powerful tool to investigate these effects, and also allow to separate genuine strain effects from other influences that are generally present in thin film samples.

In this talk I will discuss several examples of strain effects in complex oxides and I will present results of first principles calculations that allow to clarify the underlying mechanisms. In particular I will discuss the recently observed strain-induced morphotropic phase boundary in multiferroic BiFeO₃, the occurrence of strain-induced ferroelectric instabilities in the magnetic perovskites CaMnO₃ and LaCrO₃, and the effect of epitaxial strain on the magneto-crystalline anisotropy in the spinel ferrites CoFe₂O₄ and NiFe₂O₄.