Structure and energetics of FeO/Fe(001) interfaces

We report results of density functional theory calculations of structure and properties of 1-5 monolayer thin FeO(001) films and their interactions with the Fe(001) surface. It is found that deposition of an iron-oxide film affects weakly geometry of the Fe(001) support, causing small <

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In this study, density functional theory calculations were used to investigate the structure and properties of 1-5 monolayer thin FeO(001) films and their interactions with the Fe(001) surface. The results showed that deposition of an iron-oxide film only caused slight changes in the geometry of the Fe(001) support.