Activation Energy and NEGF

[berna]

Hi.
I think, NEGF method does not show maxima related to charge carriers overcoming the activation energy barrier and participate in the electrical conductivity graph. Am I right?

[Petr Khomyakov]

Could you clarify your question? Are you talking about an inelastic scattering when an electron may gain or lose the energy via interactions with phonons, e.g., to get through a potential barrier, so-called phonon-assisted tunneling?

Inelastic scattering can be accounted for within the NEGF approach, https://docs.quantumwise.com/tutorials/inelastic_current_in_si_pn_junction/inelastic_current_in_si_pn_junction.html and https://docs.quantumwise.com/manuals/Types/InelasticTransmissionSpectrum/InelasticTransmissionSpectrum.html.

Of course, one may have to do it with a certain level of approximation, since this is a rather complex computational problem to be tackled in its full complexity.