Forum EPW

Electron-phonon coupling and doping
Page 1 of 1

Author:  eliephys78 [ Sat Apr 13, 2019 9:29 pm ]
Post subject:  Electron-phonon coupling and doping

Dear all,

I am trying to calculate the effect of doping on the electron phonon coupling coefficient (lambda). I want to make sure that the technique I am thinking of is correct:

1- First change the number of electrons in the crystal.fmt file and obtain the new Fermi energy.
2- Re-run calculations for lambda using the new value of EF. No need to run the first epw1 calculations (the lengthy calculations of the el-ph matrices) since these do not include the Fermi energy. Is this right?


Elio Moujaes
Federal University of Rondonia
Porto Velho Brazil

Author:  carla.verdi [ Tue May 14, 2019 8:56 am ]
Post subject:  Re: Electron-phonon coupling and doping

Dear Elio,

That is correct in the approximation that the effect of doping is only to rigidly shift the Fermi level.


Page 1 of 1 All times are UTC
Powered by phpBB © 2000, 2002, 2005, 2007 phpBB Group