Berlin 2018 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 118: Metal substrates: Structure, epitaxy and growth

O 118.7: Vortrag

Freitag, 16. März 2018, 12:30–12:45, MA 005

Energetics and structure of FeO/Fe(001) interfaces — •Tomasz Ossowski and Adam Kiejna — Institute of Experimental Physics, University of Wrocław, Pl. M. Borna 9, 50-204 Wrocław, Poland

The metal-oxide interfaces are of great importance in many fields of science and technology, including corrosion, catalysis, magnetic devices and spintronics. FeO thin layers on iron surfaces play significant role in growth of iron-oxides on the surfaces and in early stages of iron surfaces oxidation. In this work, we have performed DFT calculations of interaction of thin oxide films of 1-5 FeO atomic layers with Fe(001) surface. It is found that adsorption of single FeO layer on the Fe(001) surface results in a surface covered by oxygen atoms and subsequent oxide layers grow at the surface precovered by oxygen atoms. For thicker films of 2-5 FeO adlayers on Fe(001) surface, the system with oxygen atoms at the oxide-substrate interface is energetically most stable. The iron-oxide adsorption affects weakly substrate geometry causing expansion of the first interlayer distance compared to the clean iron surface. The work function of FeO/Fe(001) system is larger by about 0.2 eV than for the clean Fe(001) surface. The calculated work of separation shows that the strongest FeO-Fe(001) interactions occur for double FeO layers thick which is by about 0.45 eV stronger bound to Fe(001) surface than monolayer of FeO. For thicker FeO adlayers interaction weakens, however remains stronger than for the monolayer film. It is also found that FeO on Fe(001) surface exhibits antiferromagnetic order, with the interface layer oriented ferromagnetically to the substrate surface.