[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.
--Matt
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