[Ifeffit] Silent Oxygen
Bruce Ravel
bravel at bnl.gov
Tue Apr 18 13:34:36 CDT 2017
On 04/18/2017 11:10 AM, Fuxiang Zhang wrote:
> Hi, all,
> I am in studying the EXAFS of perovskite and clearly see the split of
> the first peak after ion irradiation. It should come from a symmetry
> change, so I use a tetragonal model (instead the original cubic) which
> contains two independent O sites. However, after running Atoms and
> Feff, all paths are contributed by only one O atom and nothing related
> to another Oxygen atoms (see attached file). As a result it may
> be difficult to get a good fit of the first split Ta-O peaks. I am not
> sure if it is true or something wrong.
> Thank you very much
A fairly common question here on the mailing list. This is a *feature*
of Artemis, not a bug.
http://bruceravel.github.io/demeter/documents/Artemis/extended/fuzzy.html
If you want to /model/ a split in distance, you can drag that path into
the path list twice and adjust the delta R and amplitude parameters
accordingly.
B
--
Bruce Ravel ------------------------------------ bravel at bnl.gov
National Institute of Standards and Technology
Synchrotron Science Group at NSLS-II
Building 743, Room 114
Upton NY, 11973
Homepage: http://bruceravel.github.io/home/
Software: https://github.com/bruceravel
Demeter: http://bruceravel.github.io/demeter/
More information about the Ifeffit
mailing list