How to calculate electron and hole mobility for 2D materials (such as MX phases) using BoltzTraP code?

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Enamul Haque

You need to calculate carrier lifetime, effective mass, then you can easily calculate the mobility, but Boltztrap cannot do it alone. You need to use other codes along with Boltztrap.

Sylvester Makumi

Ahmed Azzouz Rached You can use the EPW software. https://epw-code.org/

With this, it is possible to calculate the charge carrier mobility (both holes and electrons) at a specific charge concentration.

Shahran Ahmed Joy

Dear Enamul Haque

Can you please suggest how to calculate carrier lifetime?

and Hence the Carrier Mobility?

I have calculated the effective masses of electrons and holes using VASPKIT.