Atomistic calculation of the f0 attempt frequency in Fe3O4 magnetite nanoparticles

Abstract

The Arrhenius law predicts the transition time between equilibrium states in physical systems due to thermal activation, with broad applications in material science, magnetic hyperthermia and paleomagnetism where it is used to estimate the transition time and thermal stability of assemblies of magnetic nanoparticles. Magnetite is a material of great importance in paleomagnetic studies and magnetic hyperthermia but existing estimates of the attempt frequency $f_0$ vary by several orders of magnitude in the range $10^7-10^{13}$ Hz, leading to significant uncertainty in their relaxation rate. Here we present a dynamical method enabling full parameterization of the Arrhenius-N\'eel law using atomistic spin dynamics. We determine the temperature and volume dependence of the attempt frequency of magnetite nanoparticles with cubic anisotropy and find a value of $f_0 = 0.562 \pm 0.059$ GHz at room temperature. For particles with enhanced anisotropy we find a significant increase in the attempt frequency and a strong temperature dependence suggesting an important role of anisotropy. The method is applicable to a wide range of dynamical systems where different states can be clearly identified and enables robust estimates of domain state stabilities, with particular importance in the rapidly developing field of micromagnetic analysis of paleomagnetic recordings where samples can be numerically reconstructed to provide a better understanding of geomagnetic recording fidelity over geological time scales.