Electronic and magnetic properties of BaFeO3 on the Pt(111) surface in a 
quasicrystalline approximant structure

Adeagbo, Waheed Ade; Maznichenko, Igor V.; Ben Hamed, Hichem; Mertig, Ingrid; Ernst, Arthur; Hergert, Wolfram

doi:10.1002/pssb.201900649

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Electronic and magnetic properties of BaFeO₃ on the Pt(111) surface in a quasicrystalline approximant structure

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Ernst, Arthur
Max Planck Institute of Microstructure Physics, Max Planck Society;

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Citation

Adeagbo, W. A., Maznichenko, I. V., Ben Hamed, H., Mertig, I., Ernst, A., & Hergert, W. (2020). Electronic and magnetic properties of BaFeO₃ on the Pt(111) surface in a quasicrystalline approximant structure. Physica Status Solidi B, 257(7): 1900649. doi:10.1002/pssb.201900649.

Cite as: https://hdl.handle.net/21.11116/0000-0008-891F-C

Abstract

Perovskite‐like ABO₃ oxides A = (Ca, Sr, Ba) and B = (Ti, Mn, Fe, Co, Ni) show a large variety of structures and physical properties. Among them is BaTiO₃ (BTO), one of the most investigated and used perovskites. In a BTO film on Pt(111), the first oxide quasicrystal was discovered. Herein, by means of first‐principle methods, the cubic and hexagonal phases of bulk BaFeO₃ (BFO) are investigated. Both phases show ferromagnetic order. Monolayers and double layers of BFO are studied on a Pt(111) surface. The double‐layer configuration of the cubic and hexagonal phases is structurally inequivalent but both double‐layer films show antiferromagnetic order. In analogy to the BTO quasicrystal approximant structure on Pt(111), a corresponding BFO structure is investigated. The Fe atoms are surrounded by three oxygen atoms and the resulting FeO₃ units are separated by barium atoms with the total stoichiometry Ba₅Fe₄O₁₂.