Circularly optical absorption for 2D material

[Yilv Guo]

Dear developers:

Does Yambo support the caculation for circularly polarized absorption of 2D material?

[Daniele Varsano]

Dear Yilv,
please fill your signature with your name and affiliation, this is a rule of the forum. you can do it once for all by filling the signature field in the user profile.

In Yambo, you can calculate kerr effect by using the yambo_kerr and in general, the off-diagonal component of the dielectric tensor needed to calculate circular dichroism.
You can have a look at this paper by D: Sangalli:
https://journals.aps.org/prb/abstract/1 ... .86.125139
and at this threads:
viewtopic.php?p=6278#p6278
viewtopic.php?p=8299#p8299

Unfortunately at the moment, the yambo_kerr tutorial is not available, but you can have a look to section 5.2.1 of the latest yambo paper:
https://iopscience.iop.org/article/10.1 ... 15d0s5-2-1

Best,
Daniele

[amolina]

Dear Yilv,
As Daniele told you, Yambo calculates the circularly polarized absorption. Recently we submitted an arxiv (https://arxiv.org/abs/1912.01888) with calculations of circular light. We give there some details of the methodology.
Cheers,
Alejandro.

[Yilv Guo]

I have fill my signature, sorry that it is my fist time to join the forum. Thank you for these messages, and i will learn it.

Best,
Yilv

[pyadav]

Dear team Yambo,

I followed the mentioned links for the optical absorption for circularly polarised light in 2D materials but was unable to follow the procedure in the Yambo code. If there is any tutorial updated recently or any other forum discussion where based on this please share the link.

Wishes,
Pushpendra

[Davide Sangalli]

Dear Yilv,
unfortunately, we did not import the kerr tutorials to the wiki yambo website yet.

In any case, it is just a BSE calculation with an extra flag in input

Code: Select all

BSEprop="abs kerr"    # '[BSS] abs/kerr/magn/dichr trace'

The absorption direction needs to be in-plane (either x or y direction)
Then you will get eps_xx(w) and eps_xy(w) components of the dielectric tensor in two separate files

Best,
D.

[sabrine]

Dear Yilv Guo,

I see your post about circularly optical absorption , actually now i have the same problem
I would like to calculate the absorption spectra for left and right circular polarization .

Please did you find a way to do it with Yambo ???

Thanks alot
Sabrine.

[Davide Sangalli]

Dear Sabrine,
with the info in this thread you should be able to compute it...

eps_R and eps_L are just a combination of eps_xx and eps_xy

Best,
D.