HI Eugenio, I'm not sure I understand the question. Do you mean that you ran Feff8 calculations on these Er materials and see energy shifts between the calculations? Or do you mean that you see an energy shift between the calculations and experimental spectra? If it's the former -- I'm not sure. I'd expect that the calculated edges for these would be pretty similar. I don't have a lot of experience with Feff8 and hydroxide structures (I probably should!), but I might suspect that having H in the calculation could cause an small energy shift. Perhaps someone here with more experience can comment on that. If it's the latter (calculations vs experiment), ~5 eV seems reasonable. Feff's calculation of E_f is not perfect, and I wouldn't be too surprised by an absolute energy shift of a few eV for a rare-earth L edge. In addition, setting the absolute energy in an experiment can easily be off by a few eV at 8 to 9 keV. Since you say you ran a Ni foil, I'd expect the experimental calibration to be better than that, but it might depend on details of the beamline. --Matt On Mon, Jan 26, 2009 at 9:06 PM, Eugenio Otal wrote:

Hi all, I finished simulations of Er(OH)3, ErO(OH) and Er2O3, when I compared the spectras with the samples and I found a shift in energy equal to 5.5 eV.Even between the meassured and calculated spectra of Er2O3, which was previously calibrated with a niquel film standard. Is this shift part of the bussines? Thanks, euG

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