Self-consistent band structure of paramagnetic, ferromagnetic and antiferromagnetic ordered FeRh

Abstract

The electronic band structure and partial densities of states of paramagnetic, ferromagnetic and antiferromagnetic ordered FeRh are calculated self-consistently, using the linear muffin-tin orbitals (LMTO) method. Comparison is made with other theoretical results and the experimental data. The computer values of the electronic specific heat coefficient and the magnetic moments on each site are in godd agreement with the available calorimetric, magnetisation and neutron diffraction data.