QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: lknife on September 13, 2017, 14:14

Title: Can ATK simulate superconductivity?
Post by: lknife 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!

Title: Re: Can ATK simulate superconductivity?
Post by: Petr Khomyakov 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.