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...

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मुख्य लेखकों: Moeller, J, Ceresoli, D, Lancaster, T, Marzari, N, Blundell, S
स्वरूप: Journal article
प्रकाशित: 2013
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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.
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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