  Atomic scale simulations at finite temperature are an ideal approach to study
the thermodynamic properties of magnetic transition metals. However, the
development of interatomic potentials explicitly taking into account magnetic
variables is a delicate task. In this context, we present a tight-binding model
for magnetic transition metals in the Stoner approximation. This potential is
integrated into a Monte Carlo structural relaxations code where trials of
atomic displacements as well as fluctuations of local magnetic moments are
performed to determine the thermodynamic equilibrium state of the considered
systems. As an example, the Curie temperature of cobalt is investigated while
showing the important role of atomic relaxations. Furthermore, our model is
generalized to other transition metals highlighting a local magnetic moment
distribution that varies with the gradual filling of the d states.
Consequently, the successful validation of the potential for different magnetic
configurations indicates its great transferability makes it a good choice for
atomistic simulations sampling a large configuration space.
