Skip to main content

Research Repository

Advanced Search

Quantum states of muons in fluorides

Moeller, J.S.; Ceresoli, D.; Lancaster, T.; Marzari, N.; Blundell, S.J.

Quantum states of muons in fluorides Thumbnail


J.S. Moeller

D. Ceresoli

N. Marzari

S.J. Blundell


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.


Moeller, J., Ceresoli, D., Lancaster, T., Marzari, N., & Blundell, S. (2013). Quantum states of muons in fluorides. Physical review B, 87(12), Article 121108.

Journal Article Type Article
Publication Date Mar 1, 2013
Deposit Date Jul 2, 2013
Publicly Available Date Jan 24, 2014
Journal Physical Review B
Print ISSN 1098-0121
Electronic ISSN 1550-235X
Publisher American Physical Society
Peer Reviewed Peer Reviewed
Volume 87
Issue 12
Article Number 121108


Published Journal Article (726 Kb)

Copyright Statement
© 2013 American Physical Society.

You might also like

Downloadable Citations