Calculation of Seebeck coefficient and electronic thermal conductivity based on BTE theory
Posted: Thu Mar 16, 2023 7:38 am
Hi everyone,
I am using EPW to calculate the electrical properties of some materials based on DFT and BTE. I know that EPW can calculate the electrical conductivity and the carrier mobility, but I am wondering how to calculate the electronic thermal conductivity and the Seebeck coefficient using EPW. I think that since EPW has implemented the BTE framework, it should be easy to calculate these two quantities as well. However, I could not find any method or tutorial on how to do that. Does anyone have any experience or suggestion on this issue? Any help would be greatly appreciated. Thank you very much.
I am using EPW to calculate the electrical properties of some materials based on DFT and BTE. I know that EPW can calculate the electrical conductivity and the carrier mobility, but I am wondering how to calculate the electronic thermal conductivity and the Seebeck coefficient using EPW. I think that since EPW has implemented the BTE framework, it should be easy to calculate these two quantities as well. However, I could not find any method or tutorial on how to do that. Does anyone have any experience or suggestion on this issue? Any help would be greatly appreciated. Thank you very much.