Messages

1

Scripts, Tutorials and Applications / electron phonon coupling as function of fermi shift

« on: December 2, 2025, 16:52 »

I have a question about electron-phonon coupling simulation in Quantum ATK.
I was following this guide https://docs.quantumatk.com/tutorials/mobility/mobility.html to set up a model to calculate the e-ph coupling rate of graphene.
Also referred to this https://spdocs.synopsys.com/dow_retrieve/qsc-x/seg/quantumatk/X-2025.06/manual/Types/ElectronPhononCoupling/ElectronPhononCoupling.html to know how the function works.

Here comes the problem, I think e-ph coupling rate is a function of graphene's fermi level.
However, I cannot tune it either in the interface window nor the python codes.
For example, in the codes, it is like below where no input parameters as 'fermi shift'

electron_phonon_coupling = ElectronPhononCoupling(
    configuration=optimized_configuration,
    hamiltonian_derivatives=hamiltonian_derivatives,
    dynamical_matrix=dynamical_matrix,
    kpoints_fractional=kpoints_fractional,
    qpoints_fractional=qpoints_fractional,
    electron_bands=All,
    energy_tolerance=0.01 * eV,
    initial_state_energy_range=[-0.4, 0.4] * eV,
)

I do find one 'fermi shift' in the definition of inverseLfieTime:

inverse_life_time = electron_phonon_coupling.inverseLifeTime(phonon_modes=All, electron_bands=All, temperature=300*Kelvin, fermi_shift=0.0*eV, integration_method=GaussianBroadening(), refinement=1)

But it cannot be plot properly.
So by any chance anyone can take a look to see how to get a simulation result of e-ph coupling rate as function of fermi shift ?
Thanks in advance.