First-principles calculations of the exchange coupling constants for an iron film

First-principles calculations of the energy and magnetic characteristics of Fe films on Cr substrates are carried out with the use of the VASP software package in PAW PBE approximation. The exchange interaction parameters for Fe/Cr(001) and Fe/Cr(001)/Fe structures as a function of ferromagnetic films thickness were calculated within a classical Heisenberg model. The results of our calculation of exchange coupling constants can be used to calculate the temperature dependence of magnetoresistance and compare them with experimental data.