DFT + μ: density functional theory for muon site determination
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. T...
| मुख्य लेखकों: | , |
|---|---|
| स्वरूप: | Journal article |
| भाषा: | English |
| प्रकाशित: |
AIP Publishing
2023
|
| _version_ | 1826311490995486720 |
|---|---|
| author | Blundell, SJ Lancaster, T |
| author_facet | Blundell, SJ Lancaster, T |
| author_sort | Blundell, SJ |
| collection | OXFORD |
| description | 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. |
| first_indexed | 2024-03-07T08:10:35Z |
| format | Journal article |
| id | oxford-uuid:1800f84d-55c0-4d66-b3d2-2e163b4db04c |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T08:10:35Z |
| publishDate | 2023 |
| publisher | AIP Publishing |
| record_format | dspace |
| spelling | oxford-uuid:1800f84d-55c0-4d66-b3d2-2e163b4db04c2023-11-27T10:50:38ZDFT + μ: density functional theory for muon site determinationJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:1800f84d-55c0-4d66-b3d2-2e163b4db04cEnglishSymplectic ElementsAIP Publishing2023Blundell, SJLancaster, TThe 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. |
| spellingShingle | Blundell, SJ Lancaster, T DFT + μ: density functional theory for muon site determination |
| title | DFT + μ: density functional theory for muon site determination |
| title_full | DFT + μ: density functional theory for muon site determination |
| title_fullStr | DFT + μ: density functional theory for muon site determination |
| title_full_unstemmed | DFT + μ: density functional theory for muon site determination |
| title_short | DFT + μ: density functional theory for muon site determination |
| title_sort | dft μ density functional theory for muon site determination |
| work_keys_str_mv | AT blundellsj dftmdensityfunctionaltheoryformuonsitedetermination AT lancastert dftmdensityfunctionaltheoryformuonsitedetermination |