First-Principles Study of the Structure and Magnetic Properties of Fe8Rh8 – xZx (Z = Mn, Pt, Co; x = 1, 2, 3) Alloys

详细

The results of first-principles studies of the structure and magnetic properties of Fe–Rh–Z alloys conducted using the VASP package are reported. The magnetic moments and lattice parameters are determined, and the possibility of existence of stable tetragonal distortions in Fe–Rh–Z alloys with various magnetic configurations set by the level of doping with Mn, Pt, and Co is examined. It is demonstrated that the equilibrium lattice parameter and the type of magnetic ordering change with the concentration of the third element.