Hi all, I am doing the theoretical fitting using Artemis. But I am unable to get the mu(E) of theoretically calculated spectra in Artemis. If I got it correctly, Artemis plot the theoretical spectra using FEFF code. But it gives chi(k) and chi(R). Is there any way to get mu(E) from this chi(k) spectra. Or in order get the theoretically calculated mu(E) spectrum of the given structure , we have to use FEFF code alone. How it can be done? with thanks Abhijeet Gaur Vikram University Ujjain (INDIA)
Hi Abhijeet: The FEFF6L distributed with Ifeffit is only set up to calculate EXAFS. If you want the near edge structure, you will have to use FEFF8 separately. Cheers, Carlo On Fri, 18 Sep 2009, abhijeet gaur wrote:
Hi all, I am doing the theoretical fitting using Artemis. But I am unable to get the mu(E) of theoretically calculated spectra in Artemis. If I got it correctly, Artemis plot the theoretical spectra using FEFF code. But it gives chi(k) and chi(R). Is there any way to get mu(E) from this chi(k) spectra. Or in order get the theoretically calculated mu(E) spectrum of the given structure , we have to use FEFF code alone. How it can be done?
with thanks Abhijeet Gaur Vikram University Ujjain (INDIA)
-- Carlo U. Segre -- Professor of Physics Associate Dean for Graduate Admissions, Graduate College Illinois Institute of Technology Voice: 312.567.3498 Fax: 312.567.3494 segre@iit.edu http://www.iit.edu/~segre segre@debian.org
Dear All, I am writing to see if anyone on this mailing list has ever measured "Cementite" (Fe3C) EXAFS. It is basically an Iron Carbide, nothing exotic at all. I would be very grateful to anyone who might want to share an EXAFS spectrum of Cementite (Fe3C). Regards, Bhoopesh
Hi Bhoopesh, There are files that are identified as cementite in Matt Newville's archive: http://cars9.uchicago.edu/~newville/ModelLib/search.html If you manage to get any other data, let me know; I've used the standard at the link above, but I'd like to confirm it. --Scott Calvin Sarah Lawrence College On Sep 24, 2009, at 11:45 AM, bhoopeshm wrote:
Dear All, I am writing to see if anyone on this mailing list has ever measured "Cementite" (Fe3C) EXAFS. It is basically an Iron Carbide, nothing exotic at all.
I would be very grateful to anyone who might want to share an EXAFS spectrum of Cementite (Fe3C).
Regards, Bhoopesh
participants (4)
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abhijeet gaur -
bhoopeshm -
Carlo Segre -
Scott Calvin