[HTML][HTML] DFT+ μ: density functional theory for muon site determination

SJ Blundell, T Lancaster - Applied Physics Reviews, 2023 - pubs.aip.org
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 …

Playing quantum hide-and-seek with the muon: localizing muon stop** sites

JS Möller, P Bonfà, D Ceresoli, F Bernardini… - Physica …, 2013 - iopscience.iop.org
The most fundamental limitations of a muon-spin relaxation experiment can be the lack of
knowledge of the implantation site of the muon and the uncertainty about the muon's …

[HTML][HTML] MuFinder: A program to determine and analyse muon stop** sites

BM Huddart, A Hernández-Melián, TJ Hicken… - Computer Physics …, 2022 - Elsevier
Significant progress has recently been made in calculating muon stop** sites using
density functional theory. The technique aims to address two of the most common criticisms …

Quantum states of muons in fluorides

JS Möller, D Ceresoli, T Lancaster, N Marzari… - Physical Review B …, 2013 - APS
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 …

Ab initio strategy for muon site assignment in wide band gap fluorides

F Bernardini, P Bonfà, S Massidda, R De Renzi - Physical Review B …, 2013 - APS
We report on an ab initio strategy based on density functional theory to identify the muon
sites. Two issues must be carefully addressed: muon delocalization about candidate …

Intrinsic nature of spontaneous magnetic fields in superconductors with time-reversal symmetry breaking

BM Huddart, IJ Onuorah, MM Isah, P Bonfà… - Physical review …, 2021 - APS
We present a systematic investigation of muon-stop** states in superconductors that
reportedly exhibit spontaneous magnetic fields below their transition temperatures due to …

Toward the computational prediction of muon sites and interaction parameters

P Bonfà, R De Renzi - Journal of the Physical Society of Japan, 2016 - journals.jps.jp
The rapid developments of computational quantum chemistry methods and supercomputing
facilities motivate the renewed interest in the analysis of the muon/electron interactions in …

Poisoning effect of Mn in : Unveiling a quantum critical point in the phase diagram of iron-based superconductors

F Hammerath, P Bonfà, S Sanna, G Prando… - Physical Review B, 2014 - APS
A superconducting-to-magnetic transition is reported for La Fe As O 0.89 F 0.11 where a per-
thousand amount of Mn impurities is dispersed. By employing local spectroscopic …

Common effect of chemical and external pressures on the magnetic properties of CoPO ( La, Pr)

G Prando, P Bonfà, G Profeta, R Khasanov… - Physical Review B …, 2013 - APS
We report a detailed investigation of R CoPO (R= La, Pr) and LaCoAsO materials performed
by means of muon spin spectroscopy. Zero-field measurements show that the electrons …

Coexistence of Kondo coherence and localized magnetic moments in the normal state of molten salt-flux grown

N Azari, M Yakovlev, SR Dunsiger, OP Uzoh, E Mun… - Physical Review B, 2025 - APS
The development of Kondo lattice coherence in UTe 2 leads to the formation of a heavy
Fermi-liquid state from which superconductivity emerges at lower temperature. In Kondo …