Is there any first principle method available to study phase transitions at the critical region for ferromagnetism (FM) or antiferromagnetism (AFM)?


1 Answer 1


Yes, this topic is pretty mature I believe to FM and AFM by using quantum mechanics and specifically density functional theory. More specifically, the mean-field theory and Ising directions are essential to calculate phase transition temperature in ferromagnetic or anti-ferromagnetic materials. I'm not going to go through all the mathematical details here, which is beyond the scope of this SE I believe, but you could find the more solid theoretical background of this topic from outstanding work of Gyorffy et. al. that described how one could construct a self-consistent model based on Pauli equation and derive the magnetic momentum field from first-principle calculations.

  • 3
    $\begingroup$ Thanks for all your excellent contributions! You are our leader in terms of number of questions answered! Please consider to ask several questions too. We are in a "limited Private Beta" trial period for 7-14 days. 3 days are over, so we have 4-10 days left to prove that we have enough activity to justify our existence. This is based not only on answers but the ability to attract lots of good questions too! It would be appreciated if you could help us now with some quesitons :) We'd all love to keep this site after the trial period! $\endgroup$ Commented May 1, 2020 at 21:38

You must log in to answer this question.

Not the answer you're looking for? Browse other questions tagged .