Author Topic: Can ATK simulate superconductivity?  (Read 3100 times)

0 Members and 1 Guest are viewing this topic.

Offline lknife

  • QuantumATK Guru
  • ****
  • Posts: 214
  • Country: us
  • Reputation: 1
    • View Profile
Can ATK simulate superconductivity?
« on: September 13, 2017, 14:14 »
Hi, experts,

I want to know, if ATK can simulate superconductivity? In other words, can ATK deal with the influence of environmental temperature (not the electron temperature) on the conductance of a material? If so, how to do the simulation? If not, can any other simulation package such as VASP or MS do?

Thank you very much for your kind help!

Offline Petr Khomyakov

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1290
  • Country: dk
  • Reputation: 25
    • View Profile
Re: Can ATK simulate superconductivity?
« Reply #1 on: September 13, 2017, 14:29 »
ATK is able to account for the effect of thermal disorder on materials or device structure, using either molecular dynamics or special thermal displacement approach. But it is not able to account for superconductivity. One may perhaps consider extracting some physical parameters that might then be plug into some empirical model of superconductivity.   I would guess the same applies to the other codes mentioned.
« Last Edit: September 14, 2017, 14:48 by Petr Khomyakov »