Investigation of electronic and magnetic properties of antiferromagnetic GdBi system by first principle and series expansions calculations

The magnetic properties and electronic structures and of GdBi are reviewed in this manuscript. Self-consistent ab initio calculations, based on DFT (Density Functional Theory) approach and using FLAPW (Full potential Linear Augmented Plane Wave) method within GGA + U approximation, are performed to investigate both electronic and magnetic properties of the GdBi. Polarized spin and spin–orbit coupling are included in calculations within the framework of the antiferromagnetic state between Gd atoms in GdBi with face-centered cubic (fcc) structure. Magnetic moment considered to lie along (1 1 1) axes are computed. Obtained data from ab initio calculations are used as input for the high temperature series expansions (HTSEs) calculations to compute other magnetic parameters. changes interactions J1(Gd–Gd) and J2(Gd–Gd) between the magnetic atoms are obtained using the mean field theory. The high temperature series expansions (HTSEs) of the magnetic susceptibility of GdBi antiferromagnetic moment (mGd) through GdBi is given up to tenth order series versus of (JGd–Gd/kBT). The Néel temperature TN is obtained by HTSEs of the magnetic susceptibility series using the Padé approximant method.