Initial Fe3O4(100) Formation on Fe(100)
Artikel i vetenskaplig tidskrift, 2019

The initial oxidation of Fe(100) at 400 degrees C has been studied by X-ray photoelectron spectroscopy (XPS), scanning tunneling microscopy (STM), and low-energy electron diffraction, in combination with density functional theory calculations. The first observed well-ordered surface oxide is formed at a coverage of similar to 3 oxygen atoms per unreconstructed surface Fe(100) atom. STM shows that this surface oxide is terminated by straight atomic rows exhibiting a p(2 X 1) periodicity. However, already for oxide films with a coverage of similar to 4 oxygen atoms (corresponding to one Fe3O4 unit cell thickness), wiggly atomic rows appear similar to the c(2 X 2) reconstructed Fe3O4 (100)-surface with the Fe3O4 unit vectors rotated 45 degrees to Fe(100). The wiggly rows are a consequence of subsurface cation iron vacancies, which previously have been observed for bulk surfaces. The formation of subsurface vacancies is supported by the XPS O is signature, which is modeled by considering the core-level shifts for all oxygen atoms in the film. Throughout the oxidation series, the microscopy results reveal a layer-by-layer (Frank-van der Merwe) growth.

Oxide films


Density functional theory


electron diffraction

X ray photoelectron spectroscopy

iron oxides

Scanning tunneling microscopy


Markus Soldemo

Kungliga Tekniska Högskolan (KTH)

Matthias Vandichel


Göteborgs universitet, Institutionen för Kemi

Henrik Gronbeck

Chalmers, Fysik, Kemisk fysik

Jonas Weissenrieder

Kungliga Tekniska Högskolan (KTH)

Journal of Physical Chemistry C

1932-7447 (ISSN) 1932-7455 (eISSN)

Vol. 123 26 16317-16325


Oorganisk kemi




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