[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


Hi Piotr,

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...

Regards
kicaj


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 
> composition.
>
> 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,
>
>
>
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