Reinventing atomistic magnetic simulations with spin-orbit coupling

Abstract

We propose a powerful extension to combined molecular and spin dynamics that fully captures the coupling between the atomic and spin subsystems via spin-orbit interactions. Its foundation is the inclusion of the local magnetic anisotropies that arise as a consequence of the lattice symmetry breaking due to phonons or defects. We demonstrate that our extension enables the exchange of angular momentum between the atomic and spin subsystems, which is critical to the challenges arising in the study of fluctuations and non-equilibrium processes in complex, natural, and engineered magnetic materials.

References in corpus (1)

• Spin waves in paramagnetic BCC iron: spin dynamics simulations

Cited by in corpus (4)

• Dynamic Simulation of Structural Phase Transitions in Magnetic Iron
• Collective dynamics in atomistic models with coupled translational and spin degrees of freedom
• The Dynamics of Magnetism in Fe-Cr Alloys with Cr Clustering
• Magnetic phase transition in coupled spin-lattice systems: A replica-exchange Wang-Landau study