The atomic structure of ultrathin oxide films and interfaces studied by surface 
X-ray diffraction

Mohseni, Katayoon; Meyerheim, Holger L.

doi:10.1002/pssb.201900605

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The atomic structure of ultrathin oxide films and interfaces studied by surface X-ray diffraction

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Mohseni, Katayoon
Max Planck Institute of Microstructure Physics, Max Planck Society;

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Meyerheim, Holger L.
Max Planck Institute of Microstructure Physics, Max Planck Society;

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https://doi.org/10.1002/pssb.201900605
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Mohseni, K., & Meyerheim, H. L. (2020). The atomic structure of ultrathin oxide films and interfaces studied by surface X-ray diffraction. Physica Status Solidi B, 257(7): 1900605. doi:10.1002/pssb.201900605.

Cite as: https://hdl.handle.net/21.11116/0000-0008-DC7F-3

Abstract

X-ray diffraction (XRD) studies of the atomic structure of ultrathin oxide films and interfaces are presented, which are conducted within the framework of the Sonderforschungsbereich 762 (functionality of oxide interfaces). Knowledge of the atomic structure is at the heart of the study of functional oxides. XRD allows the investigation of complex systems frequently encountered in oxide systems (large unit cells, complex relaxation patterns, and structural and chemical disorder). Results are combined with first-principles calculations and complementary techniques providing a thorough understanding of the oxides' functionality. The structure analysis of the approximant (AP) to the 2D oxidic quasicrystal (QC) based on BaTiO₃ (BTO) is discussed, the first oxide-type QC discovered. This AP is related to the Kepler tiling described 400 years ago. The LaFeO₃/SrTiO₃ interface is examined, which is a prototype for the formation of a 2D electron gas (2DEG). Subtle interfacial chemical roughness in combination with oxygen off-stoichiometry strongly influences the critical LaFeO₃ thickness for the 2DEG formation. Finally, the analysis of the multiferroic BTO/ME(001) (ME = Fe, Pd, Pt) interface reveals that a submonolayer of impurities is the origin for the inversion of the BTO film/vacuum termination from BaO on Fe(001) to TiO₂ on Pt(001).