Hi Fuxiang,
Further to Bruce's note, I looked at your file. Your model splits the
nearest oxygens by only 0.01A.
Is that the magnitude of splitting you anticipate?
Are you familiar with the resolution criteria for EXAFS?
(k-range [deltak]) * (R-resolution [deltaR]) ~ pi/2 for identical near
neighbours
This is also discussed in the archives, e.g.:
http://millenia.cars.aps.anl.gov/pipermail/ifeffit/2007-November/003414.html
Looking at your chi(k), it seems usable, charitably, up to about 8 A-1,
not to 12 A-1 as your
window suggests you have used. Claims of being able to resolve small
splittings
with this data will be viewed with skepticism.
-R.
On 4/18/2017 11:34 AM, Bruce Ravel wrote:
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
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