[Ifeffit] Transferability of S02

[Richard Mayes]

Scott,

This paper may help:  B. Lengeler and P. Eisenberger,  Physical Review B,
22(8), 1980, 3551-3562.


-Rich




2009/3/21 Scott Calvin <SCalvin at slc.edu>

> Hi all,
>
> One of the most universally accepted facts used in EXAFS analysis is that
> the amplitude reduction factor S02 is chemically transferable.
>
> I've been trying to find a good reference for this--either a key study
> establishing it, or a review article asserting it. I know there has been
> plenty of good work in recent years trying to make theoretical calculations
> of S02, and that they are gradually becoming more accurate. But these recent
> advances can't be the reason we treat S02 as transferable, because we've
> been doing it for decades.
>
> How was this established? It seems devilishly difficult to do
> experimentally with good accuracy, because S02 will correlate to some extent
> with other parameters.  Those correlations can be broken to some extent by
> using *k* dependence, but it seems the uncertainties would still be
> somewhat high. On the other hand, were there compelling theoretical reasons
> back in the 80's for believing transferability to hold?
>
> Currently, how good do we think the assumption of transferability really
> is? Good to 5% for any compound at that edge? Good to 1% for compounds with
> similar local environments at that edge? Better than that? (I'm asking about
> the EXAFS region; say, more than two inverse angstroms above the edge.)
>
> I eagerly await your collective wisdom, knowledge, and humorous anecdotes.
>
> --Scott Calvin
> Sarah Lawrence College
>
> P.S. I resent this to change the subject line to something more
> appropriate; this may be a thread that people will want to find in searches
> later. Sorry for the double post!
>
>
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>
-------------------------------------------------

Richard Mayes
Graduate Research Assistant
Craig Barnes Group
450 Buehler Hall
Dept. of Chemistry
Univ. of Tennessee
Knoxville, TN 37996
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