Dear Prof. Carlo Segre,

Thank you for your reply. I have attached the Athena file with Zr foil as reference.
Thank you

Angshuman Gupta
PhD research scholar
Department of Metallurgical Engineering and Materials science.
Indian Institute of Technology Bombay, Mumbai, India

On Sun, Feb 12, 2023 at 6:56 AM Carlo Segre <segre@iit.edu> wrote:
Hi Angshuman:

My advice is to go back to the background subtraction and adjust that first.  You should be able to eliminate the peak below 1A and that might well affect the part of the data you are interested in.  If you want to share the Athena project, I could give you more concrete advice.

Carlo

On Fri, Feb 10, 2023 at 2:35 AM Angshuman Gupta <angshumanmet@gmail.com> wrote:
Dear everyone,
I am working on alumina based amorphous materials containing ZrO2. I am interested in finding the bond length between Zr and O atoms and coordination number (N). Zr K edge spectra were collected at room temperature at 300K along with Zr foil as reference. Extracted So2 from reference (Zr foil) spectra was used to find N in the amorphous material. Local environment around Zr was modelled with harmonic and quasi harmonic models using a third cumulant of the distributions. Theoretical spectra fit well using quasi-harmonic models with large bond length (2.21 A) while harmonic models without third cumulants do not fit the spectra properly and calculating higher N value with 2.16 A as Zr-O bond length.
I will be thankful if you kindly let me know what else we can do to improve the fitting and get some meaningful outcome. Any relevant journal articles are also helpful.
I have attached the Artemis files.

Thanking you
Angshuman Gupta
PhD research scholar
IIT Bombay, Mumbai
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--
Carlo U. Segre (he/him) -- Duchossois Leadership Professor of Physics
Professor of Materials Science & Engineering
Director, Center for Synchrotron Radiation Research and Instrumentation
Illinois Institute of Technology
Voice: 312.567.3498            Fax: 312.567.3494

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