Regarding the calculation of the electron-phonon coupling matrix element?

[kuazhangge]

I have reviewed the tutorial, but it does not seem to provide detailed instructions on how to calculate the electron-phonon coupling matrix element. If no specific value is available, is it acceptable to use the default value of 0.2 eV to compute the capture coefficients and present the corresponding results in a paper?

[kavanase]

That would likely be quite a poor approximation. You can see how electron-phonon coupling matrix elements vary by looking at example values from the SI of papers that have used CarrierCapture/nonrad, e.g. https://doi.org/10.1016/j.joule.2024.05.004

There are examples for calculating the electron-phonon coupling matrix element on the CarrierCapture.jl and nonrad docs.

Also the default is 0 not 0.2?

CarrierCapture.py/src/carriercapture/core/config_coord.py

Line 68 in e83d4a8

W: float = 0.0,

(Which should result in zero predictions, also not ideal...). Values on the order of 0.05, down to ~1e-4, tend to be more typical from experience.