Dear Enyuan, you can have a look at this paper: M. Vracar et al., Phys. Rev. B 76(2007), 174107. The paper describes an approach where a possible JT distortion for Fe4+ in iron-doped SrTiO3 is analyzed by looking at the Debye-Waller factor. Best regards, Dominik On 09.08.2011 02:47, Enyuan Hu wrote:
Dear all,
I'm trying to fit the Fe K-edge EXAFS data and I appreciate that Fe in my sample mainly exists as Fe4+, which is associated with Jahn-Teller distortion. The one shell model that considers Fe residing in the standard octahedral apparently didn't give satisfactory result. I'm sorry that even though I found people do fitting considering Jahn-Teller distortion, I am still not aware of how to carry that out in Artemis. Can someone helps me to look at my fitting and give me some guidance on how to implement fitting that considers Jahn-Teller distortion in Artemis? Thank you.
-- Enyuan
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-- Dr. Dominik Samuelis d.samuelis@fkf.mpg.de Max-Planck-Institut für Festkörperforschung Max Planck Institute for Solid State Research Heisenbergstr. 1 70569 Stuttgart Germany Phone +49-711-689-1769 Fax +49-711-689-1722 Web http://www.fkf.mpg.de/maier/