Monte Carlo simulation of transverse-field-induced spin reorientation in Dy2Fe14B under atomic-scale thermal fluctuations

Abstract

Rare-earth permanent magnets are key materials for modern energy and transportation technologies, and understanding their magnetic behavior under applied magnetic fields is of both fundamental and technological importance. Recent advances in ultrahigh magnetic-field experiments are revealing previously inaccessible magnetization regimes in these materials. In this study, we investigate the transverse-field magnetization process of Dy2Fe14B over a wide magnetic-field range at different temperatures using an atomistic modeling approach. This recently developed framework enables us to study the microscopic mechanisms of magnetization processes, including the effects of atomic-scale thermal fluctuations. We show that, qualitatively, different mechanisms of field-induced spin reorientation operate in the low- and high-temperature regimes and identify the characteristic magnetic fields associated with these processes. Our results demonstrate how the competition among anisotropy, exchange, and Zeeman energies governs field-induced spin reorientation in heavy rare-earth magnets, providing microscopic insight into their high-field magnetic behavior and thermal stability.