SIMULATION OF MAGNETOVOLUME EFFECTS IN FERROMAGNETS BY A COMBINED MOLECULAR-DYNAMICS AND MONTE-CARLO APPROACH

We present a combined molecular dynamics and Monte Carlo simulation me thod that treats the vibrational and magnetic degrees of freedom on an equal footing in calculating the equilibrium properties of magnetovol ume-coupled local moment systems. We apply this method to a simple mod el system, a single-species ferromagnet with nearest-neighbor-only int eratomic Lennard-Jones potential and nearest-neighbor-only intermoment Ising interactions, and calculate the relevant equilibrium properties . Some results occur that are not predicted by previous calculations t hat use mean-field or Landau-type approximations.