LAUSR

The Al3FeNd2 single-phase alloy was prepared by melting stoichiometric Al, Fe, and Nd in a nonconsumable arc furnace filled with argon and then homogenizing annealing at a high temperature. The crystal structure of Al3FeNd2 was analyzed by an X-ray powder diffraction technique, Rietveld refinement analysis, and the first-principles simulation calculation method. The results show that the alloy crystallizes in the cubic cell, space group of Fd-3m (no. 227), and the lattice parameters of a = 7.8892 (1) A, Z = 4, and Dcalc = 5.75 g/cm3. Al3FeNd2 exhibits ferrimagnetic properties at low temperatures and has a Curie temperature (Tc) of 353 K, and its saturation magnetic moment (Ms) is 3.33 μB/f.u. at 2 K. The simulation results also show that Al3FeNd2 is a ferrimagnet with a spontaneous magnetic moment of 4.11 μB/f.u., and it is believed that the spontaneous magnetization of this alloy originates from the electron spin in the Fe(16c)-3d band and Nd(8b)-4f.