[Ifeffit] iron carbide fitting with Artemis

Yunyun Zhou yyzhouzhou at gmail.com
Thu Oct 26 14:52:36 CDT 2017


Hello All,

I am having trouble fitting my sample with both Fe5C2 and Fe3O4 as
standards. Hopefully somebody could help me out and I really appreciate it.

My iron sample was mainly iron carbide in the core and iron oxide on the
shell. Fe5C2 has a monoclinic structure and generated complicated FEFF
paths. Many of the paths have similar distances. I have found some paper
reported their results as follows, which apparently combined several paths
together and assume they have similar path length. My first question is
does someone know how they did it? It seems that combing similar paths
makes fitting much easier, but I am not sure whether this is a correct way
to do the fitting.

My second question is regarding fitting with the two combined models of
Fe5C2 and Fe3O4. I haven't fit with two models before. Is it just like what
I did in the attached Artemis file? Shall there be any restrictions between
the two models and do I have to fix some of the parameters?

Thank you very much in advance for your help!

Best,

Yunyun Zhou

Fe5C2 FEff paths:
[image: Inline image 1]

Literature reported results:
[image: Inline image 2]
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