[Pw_forum] electron phonon coupling in semiconductors
200210qb at gmail.com
Fri Sep 7 22:45:22 CEST 2012
Dear developers and users,
I'm new to QE and want to do some electron phonon calculation to reproduce
the el-ph scattering rates similar to that reported in this paper:
"First-principles calculations of electron mobilities in silicon: Phonon
and Coulomb scattering" Restrepo et al, Appl. Phys. Lett. 94, 212103
(2009). This paper used QE package as well.
However, when I tried to run a silicon el-ph calculation by modifying the
example input files for Al, the program complained "el-ph calculations for
metals only". I tried to suppress the error message and ran the code. It
output the el-ph coupling constants etc. similar to Al case, however, I've
no idea if the results make sense.
For semiconductors, the code should have no problem calculating the el-ph
matrix elements g and should be able to give band energies and Fermi energy
as needed to compute phonon linewidth. So I'm confused why QE cannot do
el-ph for semiconductors? Could you please help me understand it a little
Please excuse me if the answer is obvious. Thanks a lot!
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