[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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