[Ifeffit] how to consider Jahn-Teller distortion?

[Dominik Samuelis]

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 at 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/