[Wien] EELS of L3 Ti edge

[Jorissen Kevin]

You simply cannot get branching ratios right with ground state calculations - except by good luck.
You would need (at least!) something like BSE.
 
We will be releasing a new version of TELNES shortly which will include setting the branching ratio to some input value.
However, this does not mean that you will get any other multiparticle effect right.
 
 
 
Kevin Jorissen
 
EMAT - Electron Microscopy for Materials Science   (http://webhost.ua.ac.be/emat/)
Dept. of Physics
 
UA - Universiteit Antwerpen
Groenenborgerlaan 171
B-2020 Antwerpen
Belgium
 
tel  +32 3 2653249
fax + 32 3 2653257
e-mail kevin.jorissen at ua.ac.be
 

________________________________

Van: wien-admin at zeus.theochem.tuwien.ac.at namens Emil Stoyanov
Verzonden: do 13-1-2005 10:33
Aan: wien at zeus.theochem.tuwien.ac.at
Onderwerp: [Wien] EELS of L3 Ti edge



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

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