Electron linewidth from self-energy vs spectral function
Posted: Mon Nov 18, 2019 6:20 pm
Hi everyone,
I am calculating electron linewidths as a function of temperature.
The corresponding KS eigenvalues, imaginary and real part of the selfenergy
evaluated at the KS states are outputted in the epw.out files, and the only the imaginary
part in linewidth.elself file. The imaginary part of Sigma is the same in both outputs.
As known, in the EPW code the (static) Debye-Waller term is approximately accounted for
by imposing conservation of the number of particles through Re?_nk (? = ?_F ) = 0, where ?_F
is the Fermi energy. So that, the selfenergy is rescaled when calculating the corresponding
spectral function. In the output file named: specfun_sup.elself, KS eigenenergies and real
and imaginary part of electronic self-energy are written. However, both real and imaginary part
are different to those in epw.out.
For calculating scattering rates/lifetimes, should we consider the imaginary part of the selfenergy
in linewidth.elself or the rescaled ones in specfun_sup.elself?
Thank you very much in advance, I am looking forward to your comments.
Jose Querales.
I am calculating electron linewidths as a function of temperature.
The corresponding KS eigenvalues, imaginary and real part of the selfenergy
evaluated at the KS states are outputted in the epw.out files, and the only the imaginary
part in linewidth.elself file. The imaginary part of Sigma is the same in both outputs.
As known, in the EPW code the (static) Debye-Waller term is approximately accounted for
by imposing conservation of the number of particles through Re?_nk (? = ?_F ) = 0, where ?_F
is the Fermi energy. So that, the selfenergy is rescaled when calculating the corresponding
spectral function. In the output file named: specfun_sup.elself, KS eigenenergies and real
and imaginary part of electronic self-energy are written. However, both real and imaginary part
are different to those in epw.out.
For calculating scattering rates/lifetimes, should we consider the imaginary part of the selfenergy
in linewidth.elself or the rescaled ones in specfun_sup.elself?
Thank you very much in advance, I am looking forward to your comments.
Jose Querales.