Your attachment do not help in this case...
Do you know something more about sample? I suppose it is a thin layer.
Have you checked if you have no defects, vacancies, etc?
I suppose that you can follow instructions given in this post
http://millenia.cars.aps.anl.gov/pipermail/ifeffit/2009-January/008522.html
but you can be also interested in this topic:
http://millenia.cars.aps.anl.gov/pipermail/ifeffit/2009-June/004293.html
and especially in last posts.
you can also try this suggestion
http://millenia.cars.aps.anl.gov/pipermail/ifeffit/2010-June/009471.html
In general - could you precise, what is k_{min} for your fit, and did
you use self consistent potential in calculations?
W dniu 11-10-06 02:28, JeongEunSuk pisze:
Thank Dariuz and Bruce.
TiO is deposited on Si substrate and PtO is fabricated on TiO2.
I measered EXAFS with Pt L3 edge(11563eV) and The model is decided
from FEFF8.0.
PtO has only fist shell like attached files So I chose the simple
model with octahedral structure (probe atom Pt, others O)
When the EXAFS was fitted by feffit, the variables were three eo(Enot
in Artemis, energy shift), do1(distance factor), sigo1(debye-waller
factor).
the results of fit is as following
variable best fit value uncertainty initial guess
eo = 19.283398 1.726426 0.000000
do1 = -0.023227 0.009557 0.096000
sigo1 = 0.003790 0.000583 0.003047
r-factor: 11
reduced-chi square: 95
Energy shift by fit shows an amount of difference from Pt L3 edge. It
is my problem.
To reduce the energy shift, I tried to remove background carefully
again and to change distance Pt-O.
However the result was failed.
------------------------------------------------------------------------
Date: Wed, 5 Oct 2011 08:24:16 +0200
From: ki...@ifj.edu.pl
To: ifeffit@millenia.cars.aps.anl.gov
Subject: Re: [Ifeffit] Energy shift
Hi,
could say more precise what kind of energy shift you are talking
about? the position of the white line or the Enot in Artemis. How big
it is? Which version of Feff do you use? What do you mean writing
"removing background carefully"? Background in the EXAFS fit? Any
pictures to illustrate problem are welcome
W dniu 11-10-05 03:25, JeongEunSuk pisze:
Hell all
I have the study for PtO nanoparticles with EXAFS.
When I fitted the data to model, I had a problem for energy shift.
I thought that the energy shift obtained from fitting must be
below White line. However it was over white line.
Although I removed background carefully and changed bond length in
model, the energy shift was still big.
I want to know other factors which affect energy shift.
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