« previous next »
Pages: [1]   Go Down

Author Topic: scattering matrix  (Read 3783 times)

0 Members and 1 Guest are viewing this topic.

Offline Huang Baihan

  • New QuantumATK user
  • *
  • Posts: 4
  • Country: cn
  • Reputation: 0
    • View Profile
scattering matrix
« on: May 1, 2020, 05:32 »
Dear  all ,
       I am trying to calculate the phase shift of  particular eigenchannel,  and  what i  learned is to calculate the scattering matrix  (ref, https://doi.org/10.1103/PhysRevLett.84.2917, equation1),  for convenience , i upload it to the attachment. so , i want to know , is it possible to access the scattering matrix of particular eigenchannel from ATK?  any suggestions would  be  grateful!
      Thank you very much!
Logged

Offline Petr Khomyakov

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1290
  • Country: dk
  • Reputation: 25
    • View Profile
Re: scattering matrix
« Reply #1 on: May 6, 2020, 10:13 »
I guess it is not currently possible to compute this phase shift as it relies on the calculation of scattering states (eigenchannels) that are not explicitly computed in the NEGF approach, unlike the wave function method adopted in the cited paper.
Logged
Pages: [1]   Go Up
« previous next »