Fast and robust algorithm for energy minimization of spin systems applied in an analysis of high temperature spin configurations in terms of skyrmion density

DOI10.1016/J.CPC.2020.107749MaRDI QIDQ6041599zbMATH OpenOpenAlexFDO

Authors

Publication date 31 May 2023

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1904.02669

zbMATH Keywords

magnetismskyrmionsitinerant magnetsspin minimization

Mathematics Subject Classification ID

Statistical mechanics, structure of matter (82-XX) Optics, electromagnetic theory (78-XX)

Abstract: An algorithm for the minimization of the energy of magnetic systems is presented and applied to the analysis of thermal configurations of a ferromagnet to identify inherent structures, i.e. the nearest local energy minima, as a function of temperature. Over a rather narrow temperature interval, skyrmions appear and reach a high temperature limit for the skyrmion density. In addition, the performance of the algorithm is further demonstrated in a self-consistent field calculation of a skyrmion in an itinerant magnet. The algorithm is based on a geometric approach in which the curvature of the spherical domain is taken into account and as a result the length of the magnetic moments is preserved in every iteration. In the limit of infinitesimal rotations, the minimization path coincides with that obtained using damped spin dynamics while the use of limited-memory quasi-newton minimization algorithms, such as the limited-memory Broyden-Fletcher-Goldfarb-Shanno (LBFGS) algorithm, significantly accelerates the convergence.

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Cites work

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Cited in

(2)

• Melting phenomena of self-organized magnetic structures investigated by variational autoencoder
• LAMMPS -- a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

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