Magnetic and electronic properties of the intermetallic rare earth transition metal Zinc compound GdFe2Zn20

This work is a study of electronic and magnetic properties of the intermetallic GdFe2Zn20 compound which is realized using the Density Functional Theory (DFT), the mean field approximation (MFA) and the Monte Carlo Simulations (MCS). For the ab-initio calculations, we determined the electronic density of states precisely by the FP-LAPW calculations within the generalized gradient approximation (GGA) where we observed the Dos of the magnetic elements of the compound which are the Gd with S=7∕2 and Fe with σ=2 also the total Dos is determined. We proposed a Hamiltonian for the system and we solved it by the mean field approximation. We compared between magnetization by MFA and MCS. The phase diagrams, the specific heat, and the magnetic susceptibilities, critical exponents of this compound have also been studied.