Theoretical Study of Electronic and Magnetic Properties of GdRhIn with Strong Electron Correlations

In this paper, the results of our theoretical study of the electronic structure and magnetic properties of the intermetallic compound GdRhIn by the DFT + U method taking into account electron correlations in the 4f shell of gadolinium ions are presented. It is shown that the ferromagnetic ordering of the magnetic moments of Gd is energetically stabilized relative to the antiferromagnetic G type with a small difference in the total energy. Our analysis of the electronic structure revealed a strong localization of the 4f states of Gd and its dominant role in the formation of magnetic properties in GdRhIn, while the states of Rh and In remain non-magnetic. It is found that the conduction band near the Fermi level are formed by the hybridized 4d states of Rh and 5p states of In. The energy difference between the ferro- and antiferromagnetic phases suggests the possibility of switching the magnetic state under external influences, which makes GdRhIn a promising material for in spintronic and magnetocaloric applications.