circular polarized light bse

[sunxl]

Dear all，

For low-dimensional periodic materials (1D or 2D), can Yambo calculate the BSE absorption spectrum under circularly polarized light?

Best,
sunxl

[Davide Sangalli]

Dear sunxl,
yes, it is possible.

If you put

Code: Select all

BSEprop="abs kerr"

in the input file, you will get both eps_ii and eps_ij, from which you can reconstruct the absorption of circular light.

For setting the two directions as "i=x" and "j=y" for example , you can use

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% BlongDir
 1 | 0 | 0 |
%

and

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BSEdips="xy"

Best,
D.

[sunxl]

Dear Davide,

Thank you for your patient response.

1、If I want to calculate the absorption spectra under different circularly polarized light, then how should the left-handed and right-handed circularly polarized lights be set up respectively?

2、I studied the tutorial on calculating the magneto-optical Kerr effect. It mentioned that when setting BLongDir = 100, one can obtain eps_xx, as well as the off-diagonal element eps_xy. However, for a general system, eps_yy and eps_yx also need to be calculated. Should BLongDir be set to 010?

3、If it is a non-magnetic chiral structure, by setting BSEprop="abs kerr" and following the calculation process of the magneto-optical Kerr effect tutorial, calculate the absorption spectra under left-handed and right-handed circularly polarized light respectively, is the result obtained the circular dichroism caused by the chiral structure?

Best,
sunxl