Yambo Community Forum

Dear everyone,

I would like to use Yambo to simulate the photoluminescence (PL) spectrum of 3D bulk material such as silicon. Specifically, I'd like to compute and plot the PL spectrum (PL intensity vs. photon energy) curve.

Could you guys give me a hint on how to do it? I couldn't find any tutorial or description about it.

Thanks a lot in advance and best regards,

Frank

Dear Frank

photoluminescence spectra is not implemented in the GPL Yambo, and
in general, is not so easy to calculate it.

For a material like silicon that is an indirect semiconductor you can use the approach
of Paleari et al.

https://arxiv.org/abs/1810.08976

that is a postprocessing of the Yambo output.

best
Claudio Attaccalite

Thanks Claudio, for your speedy reply!
Actually I found the following paper by Prof. Andrea Marini et al:
https://estudogeral.sib.uc.pt/handle/10316/41380
where a PL calculation method is introduced and a multiple PL spectra have been computed using Yambo.

That's why I'd like to ask you guys (the developers of Yambo) whether it is true that some capabilities of PL simulation have already been implemented in Yambo?

Thanks again,
Frank

claudio wrote:Dear Frank

photoluminescence spectra is not implemented in the GPL Yambo, and
in general, is not so easy to calculate it.

For a material like silicon that is an indirect semiconductor you can use the approach
of Paleari et al.

https://arxiv.org/abs/1810.08976

that is a postprocessing of the Yambo output.

best
Claudio Attaccalite

Dear Frank

you are right, luminescence equations have been implemented in Yambo,
but I do not think they are available in the GPL (probably Andrea or Davide can add a comment),

and anyway they are quite difficult to use, this is the reason I suggest you the simplest approach
of Paleari et al, that is not bad

best
Claudio