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High-throughput Design of Magnetic Materials

Zhang, Hongbin (2020)
High-throughput Design of Magnetic Materials.
In: Electronic Structure
Artikel, Bibliographie

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Kurzbeschreibung (Abstract)

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 the fundamental properties which 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 for the future.

Typ des Eintrags: Artikel
Erschienen: 2020
Autor(en): Zhang, Hongbin
Art des Eintrags: Bibliographie
Titel: High-throughput Design of Magnetic Materials
Sprache: Englisch
Publikationsjahr: 2020
Titel der Zeitschrift, Zeitung oder Schriftenreihe: Electronic Structure
URL / URN: http://iopscience.iop.org/article/10.1088/2516-1075/abbb25
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Kurzbeschreibung (Abstract):

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 the fundamental properties which 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 for the future.

Fachbereich(e)/-gebiet(e): 11 Fachbereich Material- und Geowissenschaften
11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft
11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Theorie magnetischer Materialien
Hinterlegungsdatum: 21 Jul 2021 08:45
Letzte Änderung: 03 Jul 2024 02:52
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