Monte Carlo simulations of magnetovolume instabilities in anti-Invar systems

In: Computational Materials Science, Jg. 10 (1998) ; Nr. 1-4, S. 230-234
Zeitschriftenaufsatz / Fach: Physik
Abstract:
We perform constant pressure Monte Carlo simulations of a spin-analogous model which describes coupled spatial and magnetic degrees of freedom on an fcc lattice. Our calculations qualitatively reproduce magnetovolume effects observed in some rare earth manganese compounds, especially in the anti-Invar material YMn2. These are a sudden collapse of the magnetic moment which is connected with a huge volume change, and a largely enhanced thermal expansion coefficient.