Login (DCU Staff Only)
Login (DCU Staff Only)

DORAS | DCU Research Repository

Explore open access research and scholarly works from DCU

Advanced Search

Predicting magnetic edge behavior in graphene using neural networks

Power, Stephen orcid logoORCID: 0000-0003-4566-628X, Kucukbas, Meric E. and McCann, Sean (2022) Predicting magnetic edge behavior in graphene using neural networks. Physical Review B, 106 (8). ISSN 24699950

Abstract
Magnetic moments near zigzag edges in graphene allow complex nanostructures with customized spin properties to be realized. However, computational costs restrict theoretical investigations to small or perfectly periodic structures. Here, we demonstrate that a machine-learning approach, using only geometric input, can accurately estimate magnetic moment profiles, allowing arbitrarily large and disordered systems to be quickly simulated. Excellent agreement is found with mean-field Hubbard calculations, and important electronic, magnetic, and transport properties are reproduced using the estimated profiles. This approach allows the magnetic moments of experimental-scale systems to be quickly and accurately predicted, and will speed up the identification of promising geometries for spintronic applications. While machine-learning approaches to many-body interactions have largely been limited to exact solutions of complex models at very small scales, this Letter establishes that they can be successfully applied at very large scales at mean-field levels of accuracy.
Metadata
Item Type:Article (Published)
Refereed:Yes
Subjects:Physical Sciences > Physics
DCU Faculties and Centres:UNSPECIFIED
Publisher:American Physical Society
Official URL:https://journals.aps.org/prb/abstract/10.1103/Phys...
Copyright Information:Authors
ID Code:30310
Deposited On:02 Sep 2025 10:41 by Vidatum Academic . Last Modified 02 Sep 2025 10:41
Documents

Full text available as:

[thumbnail of 2022_PhysRevB.106.L081411_ml_edges.pdf]
Preview
PDF - Requires a PDF viewer such as GSview, Xpdf or Adobe Acrobat Reader
Creative Commons: Attribution 4.0
1MB
[thumbnail of 2022_PhysRevB.106.L081411_ml_edges_SM.pdf]
Preview
PDF - Requires a PDF viewer such as GSview, Xpdf or Adobe Acrobat Reader
Creative Commons: Attribution 4.0
4MB
Metrics

Altmetric Badge

Dimensions Badge

Downloads

Downloads

Downloads per month over past year

Archive Staff Only: edit this record