Comparative study of structural, electronic and magnetic properties of XBi (X = Gd, Tb, Dy, Ho, Er) alloys Available to Purchase

The structural, electronic and magnetic properties of XBi (X = Gd, Tb, Dy, Ho, Er) alloys with a face centered cubic structure (NaCl) and for the three states non-magnetic (NM), ferromagnetic (FM) and antiferromagnetic (AFM) were presented using a first-principle calculation. We applied the full potential linearized augmented plane wave (FP-LAPW) method based on density functional theory (DFT) and implemented in the Wien2k. The generalized gradient approximation (GGA-PBE) was used to describe the exchange-correlation potential. The results obtained for the density of states and the structure of the band reveal that our compounds have a metallic character. The structural properties show that the most stable state for our binaries XBi (X = Gd, Tb, Dy Ho, Er) is the ferromagnetic state.