Energy dependent Lorentzian broadening in RIXS?

asked by Hebatalla Elnaggar (2020/02/11 10:36)

Dear Maurits,

Is it possible to calculate RIXS with energy dependent Lorentzian broadening? One can divide the map into regions and calculate them separately but I think this could cause some artefacts. Any suggestions?

Best regards, Heba

Answers

, 2020/02/22 19:11

dear Heba,

At the moment this is not possible. We are working on ways to do this, it is not as trivial as one would like.

Best wishes, Maurits

, 2022/01/11 16:31

Dear Maurits,

Has there been any progress on this? I am currently working on simulating lanthanide XAS/RIXS with Quanty and I cannot make a terribly good match at the sharp pre-edge peaks and the giant resonance region simultaneously. I also cannot get a great match on the RIXS intensities wrt. experiment and one potential reason is that I miss some interference effects between the pre-edges and the giant resonance. I could even try to help with implementing term dependent lifetimes if a pair of hands could be useful here.

Best regards, Kari

, 2023/04/30 14:27

Dear Maurits,

Sorry to bother you. I really would like to know whether there is any update about an energy dependent Lorentzian broadening in RIXS.

I am simulating 5d TM L3 RIXS. I can clearly a see a progressive increase of the lorentzian broadening with the Eloss from 0.4 to 1.2 eV. There is now way I can properly simulate the excitations lineshape both at low and high energy using a broadening constant over the full Eloss range from 0 to 15 eV.

As suggested by Heba, I might calculate RIXS regions using different FWHM and put them together. But the artifacts are quite ugly.

Thank you very much

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