Dear subscribers: If anyone could send me the raw absorption coefficient data in bulk InAs (As K-edge), it will be most sincerely appreciated. I could not find it in any online database. Thank you very much in advance, Anatoly Frenkel ________________________________________ From: ifeffit-bounces@millenia.cars.aps.anl.gov [ifeffit-bounces@millenia.cars.aps.anl.gov] on behalf of Andrew Korinda [a-korinda@northwestern.edu] Sent: Thursday, August 09, 2012 11:37 AM To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] Ifeffit Digest, Vol 114, Issue 5 - Mn XANES Manceau also describes his arc-tangent function in his earlier work (Mn is also my focus): Manceau, A.; Gorshkov, A. I.; Drits, V. A., Am. Mineral. 1992, 77 (11), 1133-1143. I've found Farges to be a little vague on how he extracts the pre-edge features for fitting. Andy K. On Thu, Aug 9, 2012 at 10:05 AM, Matthew Marcus wrote:

You might also consider the method given in: Manceau, A., Marcus, M. A., Grangeon, S. (2012) "Determination of Mn valence states in mixed-valent magnanates by XANES spectroscopy", American Mineralogist 97,816-827

(not that I'm plugging my own work or anything :-) ) Marcus, M. A.

On 8/9/2012 7:53 AM, Enyuan Hu wrote:

...

Hi Dominik,

Thank you so much for your quick response. Indeed, it's really nice fitting according to your result. But my situation seems a little bit different as I'm dealing with the Mn XANES data and there're doublets and sometimes triplets in the pre-edge. Actually, I might as well explain my interest of doing such fitting. I read in the paper _(F Farges, PHYSICAL REVIEW B 71, 155109 (2005))_ that the centroid of pre-edge peak is a more accurate measurement of the oxidation state of the element of interest, compared to the more conventional inflection point or half-way method. So I was trying to follow the paper and see if it also works for my samples. Anyway, thanks again for your help!

Enyuan

On Thu, Aug 9, 2012 at 9:11 AM, mailto:ifeffit-request@millenia.cars.aps.anl.gov> wrote:

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Today's Topics:

1. Re: question for ifeffit mailing list - ATHENA NORMALIZATION (Marie Zwetsloot) 2. Re: question for ifeffit mailing list - ATHENA NORMALIZATION (Scott Calvin) 3. pre-edge centroid (Enyuan Hu) 4. Re: pre-edge centroid (Dominik Samuelis)

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Message: 1 Date: Wed, 8 Aug 2012 13:17:59 -0400 From: Marie Zwetsloot mailto:mjz56@cornell.edu> To: ifeffit@millenia.cars.aps.anl.gov mailto:ifeffit@millenia.cars.aps.anl.gov Subject: Re: [Ifeffit] question for ifeffit mailing list - ATHENA NORMALIZATION Message-ID:

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Hi Scott Calvin,

Thanks for your help. Yes, this is as far as my pre- and post-edge range go. I realized I should have made them longer; it was my first time doing this and wasnt aware that i should lengthen my pre and post-edge for later on analysis. This will be good lesson for the future.

So you would not recommend doing linear combination fitting? I was planning on trying it out.. But I wouldnt want to do it if with my pre- and post-edge range, I am bound to derive wrong conclusions from the data.

Best, Marie