Journal article : Review
DFT + μ: density functional theory for muon site determination
- Abstract:
- The technique of muon spin rotation (μSR) has emerged in the last few decades as one of the most powerful methods of obtaining local magnetic information. To make the technique fully quantitative, it is necessary to have an accurate estimate of where inside the crystal structure the muon implants. This can be provided by density functional theory calculations using an approach that is termed as DFT + μ, density functional theory with the implanted muon included. This article reviews this approach, describes some recent successes in particular μSR experiments, and suggests some avenues for future exploration.
- Publication status:
- Published
- Peer review status:
- Peer reviewed
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- Files:
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(Preview, Version of record, pdf, 3.6MB, Terms of use)
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- Publisher copy:
- 10.1063/5.0149080
Authors
+ UK Research and Innovation
More from this funder
- Funding agency for:
- Blundell, SJ
- Grant:
- EP/X025861/1
- Publisher:
- AIP Publishing
- Journal:
- Applied Physics Reviews More from this journal
- Volume:
- 10
- Issue:
- 2
- Article number:
- 21316
- Publication date:
- 2023-06-05
- Acceptance date:
- 2023-04-20
- DOI:
- EISSN:
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1931-9401
- Language:
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English
- Subtype:
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Review
- Pubs id:
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1490058
- Local pid:
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pubs:1490058
- Deposit date:
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2023-11-24
Terms of use
- Copyright holder:
- Blundell and Lancaster
- Copyright date:
- 2023
- Rights statement:
- © 2023 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
- Licence:
- CC Attribution (CC BY)
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