QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ams_nanolab on September 16, 2013, 07:50

Title: Phonon scattering
Post by: ams_nanolab on September 16, 2013, 07:50

Dear Sir,
Is it possible to calculate change in electron effective mass due to phonon scattering in 2-D materials in ATK?
Or extract the electron phonon coupling matrices in such cases?

Title: Re: Phonon scattering
Post by: Anders Blom on September 16, 2013, 09:59

Phonon scattering is not implemented, but you can compute the phonon spectrum, and in theory from that and using the Bloch functions you can extract the phonon coupling constants if you know the theory behind it.

Title: Re: Phonon scattering
Post by: ams_nanolab on September 16, 2013, 10:44

Thank you Dr. Blom, ... could you kindly provide some references I could study on this topic. It would be highly appreciated.

Title: Re: Phonon scattering
Post by: ams_nanolab on September 17, 2013, 08:11

Dear Sir,
Is it possible to extract the electron - phonon interaction hamiltonian from ATK?