Berlin 2015 – scientific programme

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KR: Fachgruppe Kristallographie

KR 3: Poster Session on Ferroic Domain Walls - Multiferroics (DF jointly with KR, MA, TT)

KR 3.30: Poster

Monday, March 16, 2015, 19:00–21:00, Poster C

First-principles study of magnetic properties of BaFeO_3−δ — •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

Oxides with a perovskite atomic structure are ideally suited to grow two-component multiferroics, in which a ferroelectric oxide barrier is sandwiched between magnetic electrodes. For example, the perovskites ATiO₃ (A = Ba, Pb) can be used as ferroelectric barrier, while ferromagnetic perovskites (La,Sr)MnO₃ or SrRuO₃ can serve as ferromagnetic electrodes. Oxide materials are preferable in such a tunnel junction because of their compatibility and growth. Since the number of ferromagnetic conducting oxides is restricted, a search of new suitable oxide electrodes is highly desirable. Recently, the perovskite BaFeO₃ was reported to be ferromagnetic in bulk and as thin film [1]. Here, using a first-principles Green function method within the density functional theory, we present a study on magnetic and electronic properties of bulk BaFeO₃ especially focusing on the impact of structural deformations and intrinsic defects.

[1] S. Chakraverty et al., Applied Physics Letters 103, 142416 (2013).