[Ifeffit] Phase Correction using IFEFFIT
Ian Drake
idrake at uclink.berkeley.edu
Sat Aug 2 15:32:57 CDT 2003
Hi Matt and XAFS community
I am interested in the details of how IFEFFIT handles phase correction. I
asked a similar question in April, but have only now begun to address its
use in my work. In your response to my April question, you described how
to do a central atom phase shift (without a FEFF path) and a combined
central-atom and scattering-atom phase-shift (using a particular FEFF path).
In the case of the combined central-atom/scattering-atom phase-shift, is
the Chi(k) multiplied by exp(i*Phase(Central-atom)) and
exp(i*Phase(scatterer)) before FFT? If this is true, how can I correct for
the scattering atom phase shift "only" as has been described by Lee and
Beni (Phys. Rev.B, 15, 1977, pg 2862) and Vaarkamp (Cat. Today, 39, (1998),
pg 271).
At this time, my particular interest is in attempting to identify clearly
next-nearest neighbors in the RSF before attempting to do fitting. It is
my hope that a positive identification of the next-nearest neighbor by
means of IM analysis/ and or k-weighting will add validity to my final
fitting results.
Thank you for your help,
Ian Drake
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