Calculate electron mobility in doped materials

General discussion around the EPW software

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tswang
Posts: 14
Joined: Wed Oct 12, 2016 1:40 am
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Calculate electron mobility in doped materials

Post by tswang »

Dear developer,

I am trying to calculate electron mobility in doped materials to get a function of electron mobility with respect to carrier concentration from electron/phonon interaction.

I can see two possible options:
1. Change the pseudopotential by increasing/decreasing the valence electron number. Then, just follow the Pb tutorial to get it.
2. Without changing pseudopotential, I just change Fermi level manually on the EPW input file.

I learned from previous topics that you guys were working on electron mobility. Please kindly let me know how I can get it. Thank you very much for your help!

Tianshi Wang
University of Delaware, Newark, DE USA
sponce
Site Admin
Posts: 616
Joined: Wed Jan 13, 2016 7:25 pm
Affiliation: EPFL

Re: Calculate electron mobility in doped materials

Post by sponce »

Dear Tianshi Wang,

The calculation of electron mobility in semiconductors (also doped one) is currently being developed (Boltzmann transport equation) but has not been released yet.

Best,

Samuel
Prof. Samuel Poncé
Chercheur qualifié F.R.S.-FNRS / Professeur UCLouvain
Institute of Condensed Matter and Nanosciences
UCLouvain, Belgium
Web: https://www.samuelponce.com
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