EPW Forum

Dear all

I am working on optical properties of indirect band gap materials and would like to ask a specific question regarding EPW.

Is it possible within EPW (or in combination with standard workflows) to evaluate phonon-assisted exciton absorption, exciton self-energy, and exciton lifetimes arising from electron–phonon interactions?

Any brief clarification or relevant insight would be highly appreciated.

Best Regards,
Agathyan

Hi,

It is possible to calculate exciton-phonon coupling using EPW in combination with BerkeleyGW. See the lecture by Dr. Dai here https://drive.google.com/file/d/1mXatJh ... ZveCC/view.

Within the EPW repo you can find an example for calculating exciton-phonon coupling and exciton-polaron formation energies. The link is here: https://gitlab.com/epw/q-e/-/tree/devel ... type=heads.

However, the phonon assisted exciton absorption is still not implemented in EPW and may become available in a future version of the code.

Best regards,
Sabya.