nl.gov'
Subject: [Ifeffit] Itinerant vs localized XAFS
Dear XAFS specialists,
We've performed an experiment at the ESRF in Grenoble to find experimental
evidence of an electronic change in our system. We suspect, from ab initio
calculations, that there is a change in how electrons
On Mon, Dec 9, 2013 at 9:02 AM, Maurits Boeije wrote:
> Dear XAFS specialists,
>
>
>
> We’ve performed an experiment at the ESRF in Grenoble to find experimental
> evidence of an electronic change in our system. We suspect, from ab initio
> calculations, that there is a change in how electrons are
Hello,
Could there be any information or insight in the XANES data? Localized
electrons might significantly change the edge structure for the system.
Just a thought,
Chris
Dr. Christopher Patridge
Assistant Professor of Chemistry
Dept of Math and
Dear Maurits,
My dissertation looked at the possibility that the kind of change you describe
is accompanied by a discontinuity in the third cumulant parameter for (in this
case) the nearest-neighbor bond. My evidence was not sufficiently convincing to
allow for publication elsewhere, but it was
Dear XAFS specialists,
We've performed an experiment at the ESRF in Grenoble to find experimental
evidence of an electronic change in our system. We suspect, from ab initio
calculations, that there is a change in how electrons are allocated in our
Mn/Fe system. Calculations show that some elect
