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Substrate-Effect-Magnetism-Data.zip (546.63 MB)

Data for "Correlation-induced magnetism in substrate-supported 2D metal-organic frameworks"

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Version 2 2022-06-24, 00:43
Version 1 2022-03-18, 02:57
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posted on 2022-06-24, 00:43 authored by Bernard FieldBernard Field, Agustin Schiffrin, Nikhil Medhekar

Data and scripts used to produce the figures and results in Field, B., Schiffrin, A. & Medhekar, N.V. "Correlation-induced magnetism in substraye-supported 2D metal-organic frameworks". npj Comput Mater 8, 227 (2022).

Further details are contained in the README.txt file within the zip folder.

The provided Python code is shared under a GNU GPL license (details within).

Funding

ARC Centre of Excellence in Future Low Energy Electronics Technologies

Australian Research Council

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On-surface atomic-scale engineering of topological organic nanostructures

Australian Research Council

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    Keywords

    density functional theorymetal-organic framework (MOF)Hubbard modelmagnetismCondensed Matter Modelling and Density Functional Theory

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    CC BY 4.0

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