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Non-collinear spin in electronic structure calculations

Clark, S. J.; Hawkhead, Z.

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Abstract

Non-collinear spin materials are an exciting class of materials that are of great interest from both a fundamental materials science point of view and also with their possible applications in energy-efficient technological devices. Here we introduce non-collinear magnetism, in particular how to describe the electronic structure of materials with non-collinear magnetically ordered spin structures giving insight as to why it happens. Additionally, the use of electronic structure calculations is ubiquitous in current materials science research, commonly used by both theoretical and experimental researchers; we, therefore, detail how non-collinear magnetism is incorporated into the most commonly used electronic structure method, density functional theory.

Citation

Clark, S. J., & Hawkhead, Z. (2023). Non-collinear spin in electronic structure calculations. Contemporary Physics, https://doi.org/10.1080/00107514.2023.2279810

Journal Article Type Article
Acceptance Date Oct 31, 2023
Online Publication Date Nov 27, 2023
Publication Date 2023
Deposit Date Dec 8, 2023
Publicly Available Date Dec 8, 2023
Journal Contemporary Physics
Print ISSN 0010-7514
Electronic ISSN 1366-5812
Publisher Taylor and Francis Group
Peer Reviewed Peer Reviewed
DOI https://doi.org/10.1080/00107514.2023.2279810
Public URL https://durham-repository.worktribe.com/output/1985090

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