A feasibility analysis towards the simulation of hysteresis with spin-lattice dynamics

We use spin-lattice dynamics simulations to study the possibility of modeling the low-temperature magnetic hysteresis behavior of a bulk ferromagnetic material. The temporal evolution of the magnetic and mechanical degrees of freedom is obtained through a set of two coupled Langevin equations. Hysteresis loops are calculated for different angles between the external field and the magnetocrystalline anisotropy axes. The influence of several relevant parameters is studied, including the field frequency, magnetic damping, magnetic anisotropy (magnitude and type), magnetic exchange, and system size. The role played by a moving lattice is also discussed. We find that the exchange and lattice dynamics barely affect the loops, while the field frequency and magnetic damping have a large effect on it. The influence of the anisotropy magnitude and symmetry are found to follow the expected behavior. We show that a careful choice of simulation parameters allows for an excellent agreement between the spin-lattice dynamics measurements and the paradigmatic Stoner-Wohlfarth model. Furthermore, we extend this analysis to intermediate and high temperatures, reaching values close to the Curie temperature. The present study opens the possibility for more accurate inclusion of lattice defects and thermal effects in hysteresis simulations.