Finite-temperature study of itinerant ferromagnetism in Fe, Co, and Ni

Abstract

We propose a simple model for itinerant magnetism in the ferromagnetic transition metals. The model incorporates both the energy of moment formation, and the energy of moment ordering. The parameters of the model are determined from first-principles density-functional calculations for the ferromagnetic state and a number of spin spiral states. The simplicity of the magnetic energy functional allows extensive Monte Carlo simulations to be performed. Results for the finite-temperature magnetic properties of body-centered-cubic Fe, and face-centered-cubic Co and Ni are presented.