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High-throughput design of magnetic materials

Zhang, Hongbin (2021):
High-throughput design of magnetic materials. (Publisher's Version)
In: Electronic Structure, 3 (3), IOP Publishing, ISSN 2516-1075,
DOI: 10.26083/tuprints-00019475,

Available under: CC BY 4.0 International - Creative Commons, Attribution.

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Item Type: Article
Origin: Secondary publication via sponsored Golden Open Access
Status: Publisher's Version
Title: High-throughput design of magnetic materials
Language: English

Materials design based on density functional theory (DFT) calculations is an emergent field of great potential to accelerate the development and employment of novel materials. Magnetic materials play an essential role in green energy applications as they provide efficient ways of harvesting, converting, and utilizing energy. In this review, after a brief introduction to the major functionalities of magnetic materials, we demonstrated how the fundamental properties can be tackled via high-throughput DFT calculations, with a particular focus on the current challenges and feasible solutions. Successful case studies are summarized on several classes of magnetic materials, followed by bird-view perspectives.

Journal or Publication Title: Electronic Structure
Volume of the journal: 3
Issue Number: 3
Publisher: IOP Publishing
Collation: 52 Seiten
Classification DDC: 600 Technik, Medizin, angewandte Wissenschaften > 620 Ingenieurwissenschaften
Divisions: 11 Department of Materials and Earth Sciences > Material Science > Theory of Magnetic Materials
Date Deposited: 08 Sep 2021 12:06
Last Modified: 08 Sep 2021 12:07
DOI: 10.26083/tuprints-00019475
Corresponding Links:
URN: urn:nbn:de:tuda-tuprints-194756
Additional Information:

Keywords: high-throughput, magnetic materials, magnetocaloric materials, magnetic topological materials, permanent magnets, twodimensional magnets

URI: https://tuprints.ulb.tu-darmstadt.de/id/eprint/19475
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