Improved Distance Determination in Oxygen EXAFS: Soft X-ray Fluorescence Measurements versus Theoretical Standards

Abstract
High quality fluorescence yield oxygen EXAFS spectra of Cu2O and CuO demonstrate the transferability of the O-Cu EXAFS phase-shift in contrast to earlier findings. This allows a precise O-Cu distance determination. It is shown for the copper oxides that theoretical calculations by means of the FEFF code yield reliable distance standards also in the soft x-ray region. These advances improve the distance determination by means of oxygen EXAFS and open up cases where reliable experimental standards are not available. Following a discussion of the oxygen EXAFS of NiO, the consequences with respect to the surface systems O/Cu and O/Ni are presented. In particular, a systematic error of +0.05Å in previous surface EXAFS distance determinations of O/Ni systems is established.

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