[Ifeffit] Hephaestus: Absorption Data Source

Daniel Przyrembel daniel.przyrembel at fu-berlin.de
Mon Nov 13 12:34:29 CST 2017

Hi Robert

Thank you for that reference, too!

Should I find a "better", more reliable set of data (I doubt it) I'll
suggest it as update for Ifeffit/Athena/Hephaestus...


> Another reference that might help:
> https://journals.aps.org/pra/abstract/10.1103/PhysRevA.22.1615
> Core-level lifetimes as determined by x-ray photoelectron spectroscopy
> measurements
> John C. Fuggle and Santos F. Alvarado
> Phys. Rev. A 22, 1615 – Published 1 October 1980
> X-ray photoelectron spectroscopy (XPS) has been used to measure lifetime
> broadening of L, M, N, O, and P core levels with binding energies less
> than 1500 eV in approximately 25 elements. The results show that the
> framework provided by previously accepted theoretical estimates of
> lifetime broadening is sometimes misleading. Lifetimes derived from
> theory and experiment often differ by a factor of 2 or more. In the
> transition metals of the first period plots of measured widths of the
> L1(2s),L2(2p12), and L3(2p32) levels as a function of atomic number show
> broad maxima which are not adequately described by theory. The origin of
> this broadening is extensively discussed, as is the overestimation of
> lifetimes by theory in other areas of the periodic table.
> Also check "Cited by" references for potentially updated information.
> -R.
> On 11/13/2017 8:34 AM, Bruce Ravel wrote:
>> On 11/13/2017 11:15 AM, Daniel Przyrembel wrote:
>>> Still I can't see any reference to 'Keski-Rahkonen and Krause' in
>> http://bruceravel.github.io/demeter/documents/Athena/hephaestus.html#absorption
>> Here is the relevant bit from Feff:
>> https://github.com/xraypy/feff85exafs/blob/master/src/COMMON/setgam.f
>> Note that that bit in Feff is less sophisticated than you might think.
>> My memory (Matt or John might remember better) is that Steve Zabinski
>> (main author of Feff6) "interpolated" those values from the plots in
>> the K&R paper.  This was done with a ruler back in the days before we
>> had software tools for such chores.  I am not saying that the values
>> in setgam.f are wrong -- just not as precise as you might imagine.
>> B
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