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High-throughput design of magnetic materials

Zhang, Hongbin (2021)
High-throughput design of magnetic materials.
In: Electronic Structure, 2021, 3 (3)
doi: 10.26083/tuprints-00019475
Article, Secondary publication, Publisher's Version

Copyright Information: CC BY 4.0 International - Creative Commons, Attribution.

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Item Type: Article
Type of entry: Secondary publication
Title: High-throughput design of magnetic materials
Language: English
Date: 8 September 2021
Place of Publication: Darmstadt
Year of primary publication: 2021
Publisher: IOP Publishing
Journal or Publication Title: Electronic Structure
Volume of the journal: 3
Issue Number: 3
Collation: 52 Seiten
DOI: 10.26083/tuprints-00019475
Corresponding Links:
Origin: Secondary publication via sponsored Golden Open Access

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.

Status: Publisher's Version
URN: urn:nbn:de:tuda-tuprints-194756
Additional Information:

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

Classification DDC: 600 Technology, medicine, applied sciences > 620 Engineering and machine engineering
Divisions: 11 Department of Materials and Earth Sciences > Material Science > Theory of Magnetic Materials
Date Deposited: 08 Sep 2021 12:06
Last Modified: 14 Nov 2023 19:04
URI: https://tuprints.ulb.tu-darmstadt.de/id/eprint/19475
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