Abstract:Topological magnetic textures observed in experiments can, in principle, be predicted by theoretical calculations and numerical simulations. However, such calculations are, in general, hampered by difficulties in distinguishing between local and global energy minima. This becomes particularly problematic for magnetic materials that allow for a multitude of topological charges. Finding solutions to such problems by means of classical numerical methods can be challenging because either a good initial guess or a gigantic amount of random sampling is required. In this study, we demonstrate an efficient way to identify those metastable configurations by leveraging the power of gradient descent-based optimization within the framework of a feedforward neural network combined with a heuristic meta-search, which is driven by a random perturbation of the neural network's input. We exemplify the power of the method by an analysis of the Pd/Fe/Ir(111) system, an experimentally well characterized system.
Abstract:Novel topological spin textures, such as magnetic skyrmions, benefit from their inherent stability, acting as the ground state in several magnetic systems. In the current study of atomic monolayer magnetic materials, reasonable initial guesses are still needed to search for those magnetic patterns. This situation underlines the need to develop a more effective way to identify the ground states. To solve this problem, in this work, we propose a genetic-tunneling-driven variance-controlled optimization approach, which combines a local energy minimizer back-end and a metaheuristic global searching front-end. This algorithm is an effective optimization solution for searching for magnetic ground states at extremely low temperatures and is also robust for finding low-energy degenerated states at finite temperatures. We demonstrate here the success of this method in searching for magnetic ground states of 2D monolayer systems with both artificial and calculated interactions from density functional theory. It is also worth noting that the inherent concurrent property of this algorithm can significantly decrease the execution time. In conclusion, our proposed method builds a useful tool for low-dimensional magnetic system energy optimization.