spectroscopic invsetigation

[devsharma]

hi 2 all,

I want to start some work. The problem I chosen is to spectroscopic investigation of doped YVO4 .
Like experimental in
Spectroscopic investigation of a new crystal: Nd3+, Yb3+:YVO4, Wnag Su-mei, Du Shi-Feng, Lu Jain, Zhang Dong-Xiang and Feng Bao- Hua, Chinise physics, Vol 16 No6 June 2007

First of all know that is it possible to do such work with yambo??

Secondly, like in the paper, it is written in results
The broad absorption band around 985nm is corresponding to the 2F7/2--> 2F5/2 transition of Yb3+.

I know, we can plot the absorption coefficient with yambo, but can we analysed such type of transitions???
How can we know that this is 2F7/2 or something else.

Please guide a suitable path.
thanks
take care
with regards,
dev

[Daniele Varsano]

Dear Dev,

I know, we can plot the absorption coefficient with yambo, but can we analysed such type of transitions???
How can we know that this is 2F7/2 or something else.

Yes, by solving the Bethe Salpeter equation it is possible to assign the KS states that participate to each
excited states. Then, once you individuate the KS states you should recognize the character by the symmetry.
In order to do that you have to use the post-processing utility "ypp", type ypp -H for a short help.

If your work is feasible or not, that's something that you have to investigate. I'm not an expert of these class
of systems and I don't know what kind of problem you can encounter.

Cheers,

Daniele

[Conor Hogan]

The broad absorption band around 985nm is corresponding to the 2F7/2--> 2F5/2 transition of Yb3+.

Dev,
Be aware that the spin degree of freedom (and hence spin-orbit coupling), are not presently available in the GPL release of Yambo (and will not be available in the short term, either), which might make such transitions unavailable to you...so check carefully what you are doing before embarking on a long project!

Conor