[Ifeffit] Problems with GeO2

Andreas Schacht andreas.schacht at uni-dortmund.de
Fri Jul 21 06:34:54 CDT 2006


my name is Andreas Schacht and I am working with germanium and germanium  
oxides in my diploma thesis. Therefore I was trying to simulate the XANES  
spectra of both with feff. The results for germanium seem to be very good  
in comparison to the experimental data but the simulated spectra of GeO2  
in the alpha-quartz structure is far away from all the experimental  
spectra I have seen. So I was wondering if someone has some experience  
with calculating the XANES spectra of germanium oxides.
Thanks for any help.
Best regards


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