QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: weixiang on March 6, 2019, 22:12

Title: Is there a way to calculate the local inelastic current?
Post by: weixiang on March 6, 2019, 22:12

Dear ATK experts,
I am studying the e-ph interaction in a two-probe device. I am wondering if it is possible to calculate the local inelastic current and plot them pictorially,  just like the TransmissionPathway did.
From my understanding, the transmission pathways split the transmission coefficient into local bond contributions T_ij and plot them using the volume-weighted arrow on the atomic bonds, which is pretty nice and helps a lot in carrier transport analyzing. But it seems like it only calculates from the regular transmission coefficient. i.e. the transmission without considering e-ph interaction.
So my question is, in ATK, is there a way to calculate the local inelastic current which takes into account the e-ph interaction effect?

Thanks!

Title: Re: Is there a way to calculate the local inelastic current?
Post by: Daniele Stradi on March 7, 2019, 13:23

Hi Weixiang,

no, that is not really possible, because the inelastic current is calculated based on the electron-phonon coupling matrix, which has both local and non-local terms.

Best,
Daniele