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October 2011

33 participants
32 discussions

Au-foil (fcc) splitted peak
by Kaiser, Julian 04 Oct '11

04 Oct '11

Dear Ifeffit Community, I'm trying to understand a basic question about an ordinary gold-foil in the fcc-crystal structure. If the spectra is plotted in the R-space, one will find two main-peaks at approx. 2.497 and 2.964 Angström that both should be attributed to the first shell. (see attached plot "Au_foil.pdf") Would this mean, one can find a peak-splitting in the 1st NN shell? And if yes, why? Maby I am compleately wrong and the second peak demonstrates already the second shell.(?) But I think the second shell should not start below 4.07825 Armströng. I think most of fcc metal crystals show this behavior. Of cause it also varys depending on the k-weight(kw=2 in the attachment). Thanks a lot in advanced, Julian ________________________________ Helmholtz-Zentrum Berlin für Materialien und Energie GmbH Mitglied der Hermann von Helmholtz-Gemeinschaft Deutscher Forschungszentren e.V. Aufsichtsrat: Vorsitzender Prof. Dr. Dr. h.c. mult. Joachim Treusch, stv. Vorsitzende Dr. Beatrix Vierkorn-Rudolph Geschäftsführer: Prof. Dr. Anke Rita Kaysser-Pyzalla, Dr. Ulrich Breuer Sitz Berlin, AG Charlottenburg, 89 HRB 5583 Postadresse: Hahn-Meitner-Platz 1 D-14109 Berlin http://www.helmholtz-berlin.de

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Absorption versus energy plot
by Francisco Garcia 04 Oct '11

04 Oct '11

Dear users, Can someone kindly explain how I can obtain the X-ray absorption versus energy plot (specifically which file contains the data) in FEFF9. I want to depict a single plot where I can clearly show the XANES and EXAFS regions. Thank you very much.

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