[Ifeffit] Basic questions on XANES
Ashley Harvey
ashley.harvey at mat.ethz.ch
Sat Jul 14 05:42:33 CDT 2007
Dear ifeffit users,
This posting is with quite basic questions on XANES data processing.
I am a somewhat new XANES experimentalist, in a group that does not
typically use XANES, so I am lacking some basic knowledge.
For normalization of XANES, my impression is that people generally
normalize the spectra from ca. 50 eV up to 100 eV or more after the
edge onset. Is there a standard acceptable normalization range for K
edges? I have noticed that when I change the start of the
normalization window by even a few eV, this can make substantial
differences in the XANES when comparing two similar spectra (for
example, change in peak and pre-edge peak intensities between XANES
of one sample at two temperatures). I keep second-guessing my choice
of normalization range.
Second, I am also looking at the effect of the various ways to set
E0. When I start with ifeffit's default (how is this determined?)
and then proceed to set E0 to the zero-crossing of 2nd derivative,
I'll get value X. When I change it to a set fraction of the edge
step (is this legitimate?) I typically get a lower value, and then
when I proceed again to set it to the 2nd derivative zero-crossing, I
get a value different from the first time it was set to the zero-
crossing.
For example, the E0 at an Fe K edge:
ifeffit default = 7128.9 eV
2nd derivative zero = 7128.8
set fraction = 7125.1
2nd derivative zero = 7125.5
The value given by the 2nd derivative zero-crossing is dependent on
the previous E0 setting.
I am having a hard time to move on to the actual interpretation of
the data while I am still uncertain about such details.
Thanks for your patience with some simple questions.
Best,
Ashley
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