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

The electronic structures and magnetic properties of many rare-earth GdSb are reviewed in this work. Self-consistent ab initio calculations, based on DFT (Density Functional Theory) approach and using FLAPW (Full potential Linear Augmented Plane Wave) method, are performed to investigate both electronic and magnetic properties of the GdSb. Polarized spin and spin–orbit coupling are included in calculations within the framework of the antiferromagnetic state between Gd atoms in GdSb 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.The exchange interaction between the magnetic atoms Gd–Gd is given by using the Heisenberg model and mean field theory. The High Temperature Series Expansions (HTSEs) of the magnetic susceptibility of GdSb antiferromagnetic moment (mGd) through GdSb is given up to tenth order series versus of (J/kBT). The Néel temperature TN is obtained by HTSEs of the magnetic susceptibility series using the Padé approximant method.

•Ab initio calculations is using to investigate both electronic and magnetic properties of the GdSb lattice.•Obtained data from ab initio calculations are used as input for the HTSEs.•The Néel temperature is obtained for GdSb lattice.