Electron-phonon coupling and doping
Posted: Sat Apr 13, 2019 9:29 pm
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?
Regards
Elio Moujaes
Federal University of Rondonia
Porto Velho Brazil
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?
Regards
Elio Moujaes
Federal University of Rondonia
Porto Velho Brazil