Phonon

Parameters for phonons and electron-phonon interactions.

interaction_cutoff#

interaction_cutoff: PositiveFloat = 10.0

The cutoff distance for the electron-phonon interaction self-energy.

Note

Currently, only the "pseudo-scattering" model / deformation potential interaction is implemented, which does not produce any self-energy matrix elements besides the diagonal ones.

solver#

solver: SolverConfig

Parameters concerning the system solver.

obc#

obc: OBCConfig

Parameters concerning the open boundary conditions.

lyapunov#

lyapunov: LyapunovConfig

Parameters concerning the Lyapunov solver.

model#

model: Literal['pseudo-scattering', 'negf'] = 'pseudo-scattering'

Which model to use for the electron-phonon interaction.

Currently, only a monochromatic "pseudo-scattering" model is implemented.

In this model, the electron-phonon interaction is modeled as

\[ \Sigma^{\lessgtr}(E) = D^2 \left[ (N_{ph} + 1) G^{\lessgtr}(E - \hbar \omega) + N_{ph} G^{\lessgtr}(E + \hbar \omega) \right], \]

where \(D\) is the deformation_potential, \(\hbar \omega\) is the phonon_energy, and \(N_{ph}\) is the phonon occupation number given by the Bose-Einstein distribution at the specified temperature.

phonon_energy#

phonon_energy: NonNegativeFloat | None = None

The energy of the phonon mode in eV.

deformation_potential#

deformation_potential: NonNegativeFloat | None = None

The deformation potential of the phonon mode in eV.

temperature#

temperature: PositiveFloat = 300.0

The temperature of the system in Kelvin.