Quantum states of muons in fluorides
Muon-spin relaxation (μ+SR) is a sensitive probe of magnetism, but its utility can be severely limited by the lack of knowledge of the muon implantation site and the extent to which the muon perturbs its host. We demonstrate systematically that these problems can be addressed accurately using electr...
| Main Authors: | , , , , |
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| Formato: | Journal article |
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2013
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| _version_ | 1826284241574428672 |
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| author | Moeller, J Ceresoli, D Lancaster, T Marzari, N Blundell, S |
| author_facet | Moeller, J Ceresoli, D Lancaster, T Marzari, N Blundell, S |
| author_sort | Moeller, J |
| collection | OXFORD |
| description | Muon-spin relaxation (μ+SR) is a sensitive probe of magnetism, but its utility can be severely limited by the lack of knowledge of the muon implantation site and the extent to which the muon perturbs its host. We demonstrate systematically that these problems can be addressed accurately using electronic-structure calculations. We show that diamagnetic muons introduce significant short-ranged distortions in ionic insulators that would lead to systematic errors on magnetic moments determined by μ+SR, and quantify these. The F-μ-F complex formed by muons in many fluorides can be understood as an exotic molecule-in-a-crystal defect with a zero-point energy larger than that of any naturally occurring triatomic molecule. © 2013 American Physical Society. |
| first_indexed | 2024-03-07T01:10:55Z |
| format | Journal article |
| id | oxford-uuid:8cf984e0-1830-40b1-96db-977ae7f1844e |
| institution | University of Oxford |
| last_indexed | 2024-03-07T01:10:55Z |
| publishDate | 2013 |
| record_format | dspace |
| spelling | oxford-uuid:8cf984e0-1830-40b1-96db-977ae7f1844e2022-03-26T22:48:12ZQuantum states of muons in fluoridesJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:8cf984e0-1830-40b1-96db-977ae7f1844eSymplectic Elements at Oxford2013Moeller, JCeresoli, DLancaster, TMarzari, NBlundell, SMuon-spin relaxation (μ+SR) is a sensitive probe of magnetism, but its utility can be severely limited by the lack of knowledge of the muon implantation site and the extent to which the muon perturbs its host. We demonstrate systematically that these problems can be addressed accurately using electronic-structure calculations. We show that diamagnetic muons introduce significant short-ranged distortions in ionic insulators that would lead to systematic errors on magnetic moments determined by μ+SR, and quantify these. The F-μ-F complex formed by muons in many fluorides can be understood as an exotic molecule-in-a-crystal defect with a zero-point energy larger than that of any naturally occurring triatomic molecule. © 2013 American Physical Society. |
| spellingShingle | Moeller, J Ceresoli, D Lancaster, T Marzari, N Blundell, S Quantum states of muons in fluorides |
| title | Quantum states of muons in fluorides |
| title_full | Quantum states of muons in fluorides |
| title_fullStr | Quantum states of muons in fluorides |
| title_full_unstemmed | Quantum states of muons in fluorides |
| title_short | Quantum states of muons in fluorides |
| title_sort | quantum states of muons in fluorides |
| work_keys_str_mv | AT moellerj quantumstatesofmuonsinfluorides AT ceresolid quantumstatesofmuonsinfluorides AT lancastert quantumstatesofmuonsinfluorides AT marzarin quantumstatesofmuonsinfluorides AT blundells quantumstatesofmuonsinfluorides |