Pump and probe of 2D hBN

Questions and doubts about features of non linear optic in Yambo (yamb_nl)

Moderators: Davide Sangalli, claudio, myrta gruning

Post Reply
Tianxiang Qian
Posts: 4
Joined: Tue Jul 11, 2023 12:41 pm

Pump and probe of 2D hBN

Post by Tianxiang Qian » Tue Jul 11, 2023 2:00 pm

Dear all,
I am trying to repeat the pump and probe of 2D hBN in the paper (Exciton-exciton transitions involving strongly bound excitons: An ab initio approach). But in my result the first peak at omega → 0 is too large. I have attached my result and input/report files.
You do not have the required permissions to view the files attached to this post.

Tianxiang Qian
Posts: 4
Joined: Tue Jul 11, 2023 12:41 pm

Re: Pump and probe of 2D hBN

Post by Tianxiang Qian » Tue Jul 11, 2023 2:07 pm

Ok, I think the signature appears now.
Tianxiang Qian
Soochow University, China

User avatar
claudio
Posts: 456
Joined: Tue Mar 31, 2009 11:33 pm
Location: Marseille
Contact:

Re: Pump and probe of 2D hBN

Post by claudio » Wed Jul 12, 2023 1:41 pm

Dear Tianxiang Qian

I cannot run again the postprocessing on my data
because there are been some changes in the yambo database.

However I put in attachment all my input files, and the only relevant difference I see
it is that I used a larger gaussian broadening 0.04
and small differences in the pump/pump_&_probe runs.

Let me know if this solve your problem

best
Claudio
You do not have the required permissions to view the files attached to this post.
Claudio Attaccalite
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com

Tianxiang Qian
Posts: 4
Joined: Tue Jul 11, 2023 12:41 pm

Re: Pump and probe of 2D hBN

Post by Tianxiang Qian » Wed Jul 12, 2023 7:33 pm

Dear Claudio,
Thanks for your quick reply. I will check the input files. One more thing, I have simulated the pump of black phosphorene. But there is jumping in the polarization like figure1. When I uncomment the 'FrPolPerdic', the polarization becomes smoother like figure2. Could you tell me how 'FrPolPerdic' works?
You do not have the required permissions to view the files attached to this post.
Tianxiang Qian
Soochow University, China

Tianxiang Qian
Posts: 4
Joined: Tue Jul 11, 2023 12:41 pm

Re: Pump and probe of 2D hBN

Post by Tianxiang Qian » Thu Jul 13, 2023 11:01 pm

Dear Claudio,
I have compared the input file and find that the most important difference is intensity of pump and probe pulse. So I increase the intensity to the values you use. The result is better (see the figure).
You do not have the required permissions to view the files attached to this post.
Tianxiang Qian
Soochow University, China

Post Reply