Modeling of cobalt nanofilms magnetic properties used as a component of spin hybrid superconductor-ferromagnetic structures

2025 · doi:10.3762/bxiv.2025.6.v1
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This study developed a mathematical model to show that cobalt nanofilm thickness significantly influences magnetic properties like energy and magnetization, with nonlinear changes linked to surface effects and domain walls.

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The paper presents a mathematical model of atomic magnetic behavior that includes spin and interatomic interactions, and solves two modeling problems using computational methods. First, it models a small cobalt nanosystem of 500 atoms to check convergence and to compare results with prior studies, finding satisfactory agreement that supports model adequacy. Second, it analyzes cobalt nanofilms across different thicknesses, showing that thickness significantly affects magnetic parameters, with magnetic energy and the magnetization norm changing nonlinearly as the number of crystalline layers increases. Peaks in magnetization rate are attributed to surface effects in thin films and to the formation of Néel domain walls; the paper does not explicitly discuss broader limitations beyond this modeling scope. The paper does not explicitly discuss endometriosis or adenomyosis; it was included in the corpus via a keyword match in the upstream search index.

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Abstract

The paper presents a mathematical model for studying the magnetic behavior of atoms, which takes into account spin and interatomic interactions. Two problems were solved by means of mathematical modeling. At the first stage, the problem of modeling a small nanosystem (500 atoms) consisting of cobalt atoms was solved. The purpose of this stage of computational experiment was to check the convergence of the solution and compare the obtained data with the results of other studies. The performed calculations and satisfactory correspondence to the previously obtained data confirmed the adequacy of the applied mathematical model. The second stage of numerical studies was devoted to the analysis of the magnetic behavior of cobalt nanofilms of different thicknesses. It was shown that the film thickness has a significant influence on the magnetic parameters of the modeled nanosystems. It was found that the magnetic energy and magnetization norm of the system change in a nonlinear manner with increasing number of crystalline layers of the nanofilm. The peaks found on the graph of the magnetization rate change can be caused by surface effects in thin films and the formation of Neel domain walls.
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Materials

chemistry Medicinal and pharmaceutical chemistry Nano- and molecular-scale electronics Nano-biomaterials and bioscience Nanomagnetics Nanomaterials, thin films and nanointerfaces Nanomedicine Nanometrology and nanomechanics Nano-optics Nanopatterning, self-assembly and nanofabrication Nanostructures for energy and sensing applications Natural products chemistry Organo main group chemistry Other nanotechnology (unclassified) Other organic chemistry (unclassified) Photochemistry and photovoltaics Physical organic chemistry Supramolecular chemistry The paper presents a mathematical model for studying the magnetic behavior of atoms, which takes into account spin and interatomic interactions. Two problems were solved by means of mathematical modeling. At the first stage, the problem of modeling a small nanosystem (500 atoms) consisting of cobalt atoms was solved. The purpose of this stage of computational experiment was to check the convergence of the solution and compare the obtained data with the results of other studies. The performed calculations and satisfactory correspondence to the previously obtained data confirmed the adequacy of the applied mathematical model. The second stage of numerical studies was devoted to the analysis of the magnetic behavior of cobalt nanofilms of different thicknesses. It was shown that the film thickness has a significant influence on the magnetic parameters of the modeled nanosystems. It was found that the magnetic energy and magnetization norm of the system change in a nonlinear manner with increasing number of crystalline layers of the nanofilm. The peaks found on the graph of the magnetization rate change can be caused by surface effects in thin films and the formation of Neel domain walls.

Keywords

Mathematical modeling, molecular dynamics, LAMMPS, MEAM, spin dynamics, ferromagnet When a peer-reviewed version of this preprint is available, this information will be updated in the information box above. If no peer-reviewed version is available, please cite this preprint using the following information: Fedotov, A. Y.; Severyukhina, O. Y.; Salomatina, A. Y.; Sidorenko, A. S. Beilstein Arch. 2025, 20256. doi:10.3762/bxiv.2025.6.v1 Citation data can be downloaded as file using the "Download" button or used for copy/paste from the text window below. Citation data in RIS format can be imported by all major citation management software, including EndNote, ProCite, RefWorks, and Zotero. © 2025 Fedotov et al.; licensee Beilstein-Institut. This is an open access work licensed under the terms of the Beilstein-Institut Open Access License Agreement (https://www.beilstein-archives.org/xiv/terms), which is identical to the Creative Commons Attribution 4.0 International License (https://creativecommons.org/licenses/by/4.0). The reuse of material under this license requires that the author(s), source and license are credited. Third-party material in this work could be subject to other licenses (typically indicated in the credit line), and in this case, users are required to obtain permission from the license holder to reuse the material.

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