Simulations of Temperature-Dependent Magnetization in FexGd100−x (20 ≤ x ≤ 80) Alloys

Theoretical calculations of the temperature-dependent magnetization in FeGd alloys were done with the use of Heisenberg-type atomistic spin Hamiltonian and Monte Carlo algorithms. The random allocation of atoms in the desired crystal structure was used for simulations of magnetically amorphous alloys. Performed calculations for the two different crystal structures have shown an important role of coordination number on the observed critical temperature and compensation point. Moreover, the value of the exchange interaction between Fe and Gd sublattices plays a key role in the simulations—an increase in the Fe–Gd exchange constant provides an increase in critical temperature for each concentration of elements, which explains the higher temperature stabilization of Gd moments. It was shown that obtained temperature-dependent magnetization behavior is consistent with experimental observations, which confirms the applicability of the atomic model used to study FeGd or other magnetic alloy structures.