QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: berna on March 19, 2018, 02:40

Title: Activation Energy and NEGF
Post by: berna on March 19, 2018, 02:40

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?

Title: Re: Activation Energy and NEGF
Post by: Petr Khomyakov on March 19, 2018, 13:21

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.