[Ifeffit] Au-foil (fcc) splitted peak

Kaiser, Julian julian.kaiser at helmholtz-berlin.de
Tue Oct 4 11:08:01 CDT 2011

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,


Helmholtz-Zentrum Berlin für Materialien und Energie GmbH

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