Effect of magnetoelastic interaction on the thermodynamics of ferromagnets: Simulation by the method of spin-lattice dynamics

Thermodynamic properties of systems with coupled magnetic and lattice degrees of freedom are analyzed by the numerical spin-lattice dynamics (SLD) method. A scheme of numerical integration is developed for SLD equations in a thermostat, that follows the earlier formulated approaches and is modified to describe systems with realistic interatomic interactions. The method proposed allows one to calculate the spectral density of oscillations, heat capacity, magnetization, and thermal expansion coefficient within a single scheme. It is established that, due to short-range magnetic order, the interplay between magnetic and lattice degrees of freedom contributes to the thermodynamic properties of the system even in the paramagnetic state. It is shown that there exist two mechanisms how the spin-lattice interaction influences the thermodynamic properties: static and dynamic mechanisms; the first is determined by its contribution to the thermal expansion of the lattice, and the second, by the dynamic interaction between magnetic moments and crystal lattice vibrations.