Query regarding deformation potential constant

[Jyotirmoy Deb]

Dear Sir/Madam,
I want to calculate carrier mobility using deformation potential theory for that I required deformation potential constant. I have found some papers (Carbon 130 (2018) 206-214, Carbon 124 (2017) 228-237) where they used ATK for calculating the same.  Kindly suggest me how to calculate this using ATK. In ATK in the analysis section deformation potential is there but I have seen the background theory is different as that of I required.
Kindly help me to sort out this.

[Petr Khomyakov]

I did not fully understand your question. Do you want to calculate mobility using Eq. 1 in those papers? What exactly is the background theory you have in mind?

[Jyotirmoy Deb]

Yes I want to calculate mobility based on deformation theory.

[Petr Khomyakov]

Take a look at the manual and references therein for mobility calculations in QuantumATK, https://docs.quantumatk.com/manual/Types/Mobility/Mobility.html

[Jyotirmoy Deb]

Sir I know this tutorial but the theroy behid it to calculate mobility is different from that of deformation potential theory which i have already mentioned in my starting mail. The papers that I have told they have used deformation potential theory for calculating mobility.

[Tue Gunst]

There is an analysis object for Deformation Potentials:
https://docs.quantumatk.com/manual/Types/DeformationPotential/DeformationPotential.html#deformationpotential-c
This analysis object will assist in fitting a linear or constant deformation potential to the full electron-phonon coupling.