[Ifeffit] Hephaestus: Absorption Data Source

Robert Gordon ragordon at alumni.sfu.ca
Mon Nov 13 10:50:30 CST 2017

Another reference that might help:

Core-level lifetimes as determined by x-ray photoelectron spectroscopy 
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.


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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