Berlin 2018 – wissenschaftliches Programm

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DS: Fachverband Dünne Schichten

DS 1: Layer Properties: Electronic, Optical and Mechanical

DS 1.1: Vortrag

Montag, 12. März 2018, 09:30–09:45, H 0111

Tuning the probability of defect formation via substrate strains in Sr₂FeMoO₆ films — Waheed A. Adeagbo¹, •Martin Hoffmann², Arthur Ernst^2,3, Wolfram Hergert¹, Minnamari Saloaro⁴, and Petriina Paturi⁴ — ¹Institute of Physics, Martin Luther University Halle-Wittenberg, Germany — ²Institute for Theoretical Physics, Johannes Kepler University Linz, Austria — ³Max Planck Institute of Microstructure Physics, Halle, Germany — ⁴Wihuri Physical Laboratory, Department of Physics and Astronomy, University of Turku, Finland

Since oxide materials like Sr₂FeMoO₆ are usually applied as thin films, we studied the effect of biaxial strain, resulting from a potential substrate, on the electronic and magnetic properties and, in particular, on the formation energy of point defects. From our first-principles calculations, we determined that the probability of forming point defects – like vacancies or substitutions – in Sr₂FeMoO₆ could be adjusted by choosing a proper substrate. For example, the amount of anti-site disorder and oxygen vacancies can be reduced with compressive strain to get purer Sr₂FeMoO₆ as needed for spintronic applications, while the formation of oxygen vacancies is more likely for tensile strain, which improves the functionality of Sr₂FeMoO₆ as basis material of solid oxide fuel cells. Hence, this degree of freedom might offer in general an additional possibility to tune the appearance of point defects besides e.g. experimental growth conditions like temperature or gas pressure.