[Ifeffit] surface EXAFS

Matt Newville newville at cars.uchicago.edu
Thu Jul 21 11:12:50 CDT 2005

Hi Shelly,

> I am working on a project were I trick feffit into moving an
> atom around on the surface of a plane to refine polarization
> dependent surface EXAFS data.  I made a quick literature
> search and have not found any other EXAFS papers that do such
> a thing.  Are you aware of similar work?  I would like to give
> credit in our manuscript.

I know of other work in progress (some in progress for a pretty
long time!!).  I also believe there are a few surface XAFS
papers that used feffit.  I think these may count, though I
don't have a copy of any of these in front of me:

  L. Y. Zhao et al,  Applied Surface Science 228, p 257 (2004)
  P. Luches et al, Surface Science 566, p 84 (2004)
  L. Damoc, et al  J. Applied Physics 92, p 1862 (2002)
  S. K. Kim, et al, PRB 62, p 3025 (2000).

I think there are probably others.

I'm not sure what the 'trick' you're using is. Doing a polarized
calculation (with feff or in feffit) for an atom on a surface
doesn't seem like such a big deal, but maybe you're doing
something fancier.  

One paper that I know is in progress (and a just-completed
thesis) measures the 'height above the surface' of a sorbed atom
by defining several different distances in terms of this height.


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