[Ifeffit] amorphous metal alloys EXAFS spectra to be fitted with Artemis
"Dr. Dariusz A. Zając"
kicaj at ifj.edu.pl
Sun Aug 25 03:21:26 CDT 2013
Matt wrote everything, but I have 2 small comments:
- Fe environment if it is oxide or metallic state can be visible
directly from the distance in most cases.
- Piotr, you wrote nothing about composition (and detection method and
preparation of the sample for the experiment) - only that you have 6
additional elements, what is stoichiometry and what kind of elements?
This information can decrease the number of input parameters...
Giving you advise knowing nothing about your sample is as a guesswork...
W dniu 13-08-24 23:18, "Piotr J. Bardziński" pisze:
> Dear Sir or Madam,
> I got a normalized Fe K-edge EXAFS spectrum for my amorphous
> 7-component alloy sample, for which I know its atomic percent
> I need to find out the interatomic distances between the Fe and the
> other atoms present in the alloy (identify the peaks in R-space) as
> well as how many atoms of each element is surrounding the absorbing
> iron atom (coordination number).
> To meet my goal, I think I need to fit the R-space Fourier transform
> of my EXAFS spectrum in a program like Artemis. Unfortunately, I
> haven`t found any tutorial discussing how to deal with amorphous
> sample with unknown organization of the atoms. When you are about to
> prepare an atomic model in Artemis for fitting, you need to build a
> model with an initial interatomic distances, atomic coordination
> number, etc, but all that is obviously unknown to me. I know nothing
> about the short range order in my material and I want to learn it from
> the experiment itself (note that itcan be and most probably is
> different from the one present in crystalline structures). So, my
> question is, could somebody tell me how to deal with such system using
> the Artemis, what type of initial models for fitting should be prepared?
> All of your help will be greatly appreciated.
> Best regards,
> Piotr Bardziński,
> Ifeffit mailing list
> Ifeffit at millenia.cars.aps.anl.gov
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