Theoretical modeling of the electronic structure and Fermi surfaces of Gd4Sb3 and GdSb2 compounds

Our theoretical modeling of the electronic structure in the intermetallic Gd4Sb3 and GdSb2 compounds has been done in the framework of density functional theory accounting for spin-orbit coupling. It revealed the metallic character of the summed total density of electronic states for both materials. The complicated Fermi surfaces were found in the half-metallic Gd4Sb3 compound which corresponds to the band structure. The GdSb2 material is obtained to be a bad metal with the low density of states near the Fermi energy, the Fermi surfaces of GdSb2 are found to have the cylindrical shape.