Dear Rietveld people, I am hoping to find some advice on microstructural effects.
I have a sample, a layered oxide (R-3m, with fcc oxygen packing) that exhibits peculiar broadening of Bragg peaks in synchrotron XRD powder data. I tried using various strain and size formulations implemented in Fullprof (Stephens for strain, spherical harmonics for size) but none of them gives good results. So I think the broadening is related to a very specific kind of defect. Also, it is very clearly lorentzian. Finally I found a pretty good fit using a specific rule for hkl, i.e. l = 2n+1. I am not sure if this is the best possible rule, but it works quite well. I am trying to figure out what kind of defect specifically this might relate to. I think it might be antiphase boundaries, but am not sure. Most of the literature I could find on the subject relates to binary alloys, not oxides. If anyone has advice on how to physically interpret specific broadening rules such as the one I found, or can point me to the relevant literature, I would be very grateful. Best regards -------------------------------------------------------------------------------------------------- Dr. Matteo Bianchini Postdoctoral researcher Battery and Electrochemistry Lab - Karlsruhe Institute of Technology Email: [email protected] Phone Office: +4972160826415 Personal: +4917674710480 -------------------------------------------------------------------------------------------------
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