Plasmon dispersion using yambo

Deals with issues related to computation of optical spectra, solving the Bethe-Salpeter equation.

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sitangshu
Posts: 196
Joined: Thu Jan 05, 2017 8:08 am

Plasmon dispersion using yambo

Post by sitangshu » Tue Jan 28, 2025 7:38 am

Hi folks,

I am trying to understand surface plasmons in metals. Is there a way to get plasmon dispersion using yambo?

Regards
Sitangshu
Sitangshu Bhattacharya
Indian Institute of Information Technology-Allahabad
India
Web-page: http://profile.iiita.ac.in/sitangshu/
Institute: http://www.iiita.ac.in/

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Daniele Varsano
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Re: Plasmon dispersion using yambo

Post by Daniele Varsano » Tue Jan 28, 2025 8:01 am

Dear Sitangshu,

you can calculate EELS spectrum either at RPA level or BSE level, see e.g. https://pubs.acs.org/doi/abs/10.1021/ac ... tt.3c03863
When dealing with metals, you need to pay attention to intraband transitions, we are currently working on an accelerated method to include them, but it is still under testing phase. In the meanwhile, please have a look at this paper to take them into account reasonably:
https://journals.aps.org/prb/abstract/1 ... 107.155130

Best,

Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

sitangshu
Posts: 196
Joined: Thu Jan 05, 2017 8:08 am

Re: Plasmon dispersion using yambo

Post by sitangshu » Wed Jan 29, 2025 6:59 am

Many thanks Daniele.



Regards
Sitangshu
Sitangshu Bhattacharya
Indian Institute of Information Technology-Allahabad
India
Web-page: http://profile.iiita.ac.in/sitangshu/
Institute: http://www.iiita.ac.in/

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