Absorption-coefficient data repository?
Dear XAFS Community, I'm looking for values of absorption coefficient (or mass absorption coefficient) of ZnO in the XANES region of the Zn edge, but all the publications give XANES plots in "arbitrary units", so I have no way of knowing the absorption coefficient for ZnO. Does anybody know a data repository where absorption coefficients are collected? Thanks, Damon -- Damon Turney PhD Energy Institute, Department of Chemical Engineering City University of New York New York, NY 10031 dturney@che.ccny.cuny.edu office: (212) 650-5470 cell: (805) 571-3764 fax: (805) 823-4593
Hi Damon,
Hephaestus will calculate that for you. (There are other options, too, but that may be the simplest.)
--Scott Calvin
Sarah Lawrence College
On Jan 27, 2014, at 1:30 PM, Damon Turney
Dear XAFS Community,
I'm looking for values of absorption coefficient (or mass absorption coefficient) of ZnO in the XANES region of the Zn edge, but all the publications give XANES plots in "arbitrary units", so I have no way of knowing the absorption coefficient for ZnO.
Does anybody know a data repository where absorption coefficients are collected?
Thanks, Damon
-- Damon Turney PhD Energy Institute, Department of Chemical Engineering City University of New York New York, NY 10031 dturney@che.ccny.cuny.edu office: (212) 650-5470 cell: (805) 571-3764 fax: (805) 823-4593 _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
It won't calculate it accurately in the XANES region because it doesn't know about XANES. What could be done is to take the smooth parts from Hepheastus and scale by the XANES data. mam On 1/27/2014 10:43 AM, Scott Calvin wrote:
Hi Damon,
Hephaestus will calculate that for you. (There are other options, too, but that may be the simplest.)
--Scott Calvin Sarah Lawrence College
On Jan 27, 2014, at 1:30 PM, Damon Turney
wrote: Dear XAFS Community,
I'm looking for values of absorption coefficient (or mass absorption coefficient) of ZnO in the XANES region of the Zn edge, but all the publications give XANES plots in "arbitrary units", so I have no way of knowing the absorption coefficient for ZnO.
Does anybody know a data repository where absorption coefficients are collected?
Thanks, Damon
-- Damon Turney PhD Energy Institute, Department of Chemical Engineering City University of New York New York, NY 10031 dturney@che.ccny.cuny.edu office: (212) 650-5470 cell: (805) 571-3764 fax: (805) 823-4593 _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
On 01/27/2014 01:30 PM, Damon Turney wrote:
Dear XAFS Community,
I'm looking for values of absorption coefficient (or mass absorption coefficient) of ZnO in the XANES region of the Zn edge, but all the publications give XANES plots in "arbitrary units", so I have no way of knowing the absorption coefficient for ZnO.
Does anybody know a data repository where absorption coefficients are collected?
Thanks, Damon
You have ways of knowing such things. The document for my Hephaestus program lists citations for the various data resources available in my Xray::Absorption perl module: http://bruceravel.github.io/demeter/aug/hephaestus.html#credits The original data for the various resources comes with Demeter and can be browsed at: https://github.com/bruceravel/demeter/tree/master/lib/Xray/data This is is from Matt Newville and Darren Dale and it very useful: https://github.com/XraySpectroscopy/XrayDB LBL's Center for X-ray Optics is a classic resource: http://henke.lbl.gov/optical_constants/ B -- Bruce Ravel ------------------------------------ bravel@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 Homepage: http://xafs.org/BruceRavel Software: https://github.com/bruceravel
Hi Damon,
On Mon, Jan 27, 2014 at 12:30 PM, Damon Turney
Dear XAFS Community,
I'm looking for values of absorption coefficient (or mass absorption coefficient) of ZnO in the XANES region of the Zn edge, but all the publications give XANES plots in "arbitrary units", so I have no way of knowing the absorption coefficient for ZnO.
Does anybody know a data repository where absorption coefficients are collected?
Scott and Bruce gave pointers to where tables of absorption coefficients can be found. These are per-atom, and ignore any fine structure or chemistry effects. XANES measurements are typically labeled as "arbitrary units" because it is both surprisingly tricky and unnecessary for (most) XANES or EXAFS analysis to actually have an accurate absolute measure of the absorption coefficient (either in mass/area or inverse length). We can easily measure XANES features at ~1% of the edge jump. But to get this signal we've (generally, without loss of generality) sampled the intensity of the X-ray beam with an ion chamber that typically absorbs a few percent of the X-rays upstream of our sample, and an ion chamber downstream of our sample (that might absorb more of the X-rays hitting it). The beam travels through, and is partially absorbed by, any air paths and other material (plastics, sample containers) as well as our sample. Typically, the sample attenuates the beam by between a factor of 2 and a factor of 100. The additional stuff in the beam may attenuate by this much as well. We typically take "Current from upstream ion chamber" as I0 (it is NOT the absolute flux hitting the sample) and "Current from downstream ion chamber" I1 (again, NOT the flux leaving the sample), and call -log(I1/I0) "mu" -- it is not in any real units. To get the real attenuation (thickness * absorption coefficient) for the sample, we'd have to take many things (some rather subtle) into account. And because attenuation is exponential, you actually have to be pretty careful to get this right. On the other hand, for analyzing XANES and EXAFS we really only care about the change in the absorption coefficient from the element of interest, and are willing to normalize to 1 atom of the absorbing species. This can be tricky enough, but it means all that other stuff cancels out. To get the absorption coefficient, you have to divide by the sample thickness (and/or know the sample's density). But sample thicknesses are typically ~10 microns, and if you think you know the average thickness of a sample to 1% of 10 microns, you must have made a very uniform and precise sample, at least compared to what most people study with EXAFS. That's not to say it can't be done. A few people, notably Chris Chantler's group at U Melbourne have made some such measurements. They're challenging, and most beamlines are not set up to do this easily. Out of curiosity, why do you need to know the (absolute) values for absorption coefficient for ZnO? -- --Matt
participants (5)
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Bruce Ravel
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Damon Turney
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Matt Newville
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Matthew Marcus
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Scott Calvin