Re: [Ifeffit] Analyzing EXAFS data on Artemis

2021-05-27 Thread Matt Newville
Hi Alex, I agree with everything Carlo and Matthew said. As you say, Li is very light and so the scattering should be weak compared to Fe. It will also die out much more quickly with "k" than the Fe (or Se) scattering will. So, if you have enough k-range, simply starting your fit at higher k

Re: [Ifeffit] [Ext] Analyzing EXAFS data on Artemis

2021-05-27 Thread Carlo Segre
Hi Deltsidis: Using Artemis, you can compare the calculated Fourier Transforms of the Se-Fe and Se-Li paths to see if the latter will actually be visible. I suspect that it will not if it is an impurity phase with small phase fraction. I would probably start with only Se-Fe and see how well it

Re: [Ifeffit] [Ext] Analyzing EXAFS data on Artemis

2021-05-27 Thread Matthew Marcus
If you go beyond first shell, then you'll need to take into account the Se-Se paths in Li2Se. That may be your best way of detecting Li2Se. mam On 5/27/2021 12:03 PM, Carlo Segre wrote: Hi Deltsidis: Using Artemis, you can compare the calculated Fourier Transforms of the Se-Fe and

[Ifeffit] Analyzing EXAFS data on Artemis

2021-05-27 Thread Alexandros Deltsidis
Dear mailing list, I am currently analyzing some EXAFS data. I am studying a Lix(C5H5N)FeSe system in a temperature grid that extends from 20 K to 300 K and I have 4 such datasets which correspond to different amount of doping (x). Right now, im focusing on fitting the 1st coordination cell, in