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KR: Fachgruppe Kristallographie

KR 5: Multiferroics II (MA jointly with DF, DS, KR, TT)

KR 5.2: Vortrag

Mittwoch, 2. April 2014, 09:45–10:00, HSZ 04

First-principles study of the BaTiO₃/BaFeO₃ perovskite interface — •Igor Maznichenko¹, Sergey Ostanin², Arthur Ernst², and Ingrid Mertig^1,2 — ¹Institut für Physik, Martin-Luther-Universität Halle-Wittenberg, D-06099 Halle, Germany — ²Max-Planck-Institut für Mikrostrukturphysik, Weinberg 2, D-06120 Halle, Germany

Epitaxial growth can combine a robust ferroelectric, such as BaTiO₃, and strong ferromagnets into the so called composite multiferroic films. The switching properties of artificial multiferroics sandwiched between metallic contacts make them excellent candidates for the room temperature four-state memories.

Regarding the ferromagnetic side of composite multiferroics, we suggest to use the cubic perovskite BaFeO₃ whose epitaxial growth has been recently reported. Here, from the basis of ab-initio electronic structure calculations, within the Korringa-Kohn-Rostoker method, we study the magnetic properties of bulk BaFeO₃. The approach allows us to accurately monitor the evolution of the Curie temperature upon both the tetragonal distortions and presence of oxygen vacancies. Finally, we examine magnetoelectricity at the BaTiO₃/BaFeO₃ interface.