Electron-phonon coupling and doping

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eliephys78
Posts: 82
Joined: Thu May 05, 2016 5:18 pm
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Electron-phonon coupling and doping

Post by eliephys78 »

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
Physics Department
university of Rondonia Brazil
Porto Velho- Rondonia

carla.verdi
Posts: 155
Joined: Thu Jan 14, 2016 10:52 am
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Re: Electron-phonon coupling and doping

Post by carla.verdi »

Dear Elio,

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

Best
Carla

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