[Wien] EELS of L3 Ti edge

[Emil Stoyanov]

Dear WIEN users,

I’m doing experimental and theoretical research on EELS of Ti (oxides 
mainly). I found big differences in the experimental and computed 
spectra (for L3 edge) – the computed spectra look very, very far from 
the experimental ones. We tried to include other orbitals in the 
computation (changing the Ar core with Ne and even He) but without any 
positive result. There are some articles in which is shown that the 
expected ratio of the L3:L2 intensities should be 2:1 (on the basis of 
2j+1 degerancy). It looks like that this can be the reason for these 
differences with the experimental results. In the same articles is shown 
that the ratio L3:L2 has to be 0.8 and in this case the spectral 
features in the computed and experimental spectra are quite similar one 
to each other. My question is it is possible to change somehow these 
ratios or how we can improve the quality of the spectra? I would like 
just to notice, that in the case of Cr we don’t have such differences - 
the computed spectra look quite good.

Thanks in advance for your help
Best regards,
Emil Stoyanov