Abstract

α-Fe 2 O 3 , FeO and Fe 3 O 4 compounds are characterized by X-ray Absorption Spectroscopy (XAS). The experimental Fe L 2,3 spectra are accounted for thanks to a configuration interaction calculation (Cl). The contributions of the various iron site symmetries and valencies are discriminated and the nature of insulating gap is deduced for each compound. The oxygen K-edge spectra are successfully interpreted by full multiple scattering (MS) calculations. Using increasing cluster sizes around the excited atom in the MS simulations, the features present on the spectra of each iron oxide are linked to its specific atomic arrangement and electronic structure.

Full Text
Published version (Free)

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call