• Corpus ID: 238856765

# MuFinder: A program to determine and analyse muon stopping sites

@inproceedings{Huddart2021MuFinderAP,
title={MuFinder: A program to determine and analyse muon stopping sites},
author={Benjamin Huddart and A. Hern'andez-Meli'an and Thomas J. Hicken and M. Gomilvsek and Z. Hawkhead and S. J. Clark and Francis L. Pratt and Tom Lancaster},
year={2021}
}
• Published 14 October 2021
• Physics
Significant progress has recently been made in calculating muon stopping sites using density functional theory. The technique aims to address two of the most common criticisms of the muon-spin spectroscopy (μSR) technique, namely, where in the sample does the muon stop, and what is its effect on its local environment. We have designed and developed a program called MuFinder that enables users to carry out these calculations through a simple graphical user interface (GUI). The procedure for…
3 Citations

## Figures and Tables from this paper

Muon–Nitrogen Quadrupolar Level Crossing Resonance in a Charge Transfer Salt
• Physics
The journal of physical chemistry. C, Nanomaterials and interfaces
• 2022
Although muons are primarily regarded as a local spin probe, they can also access the charge state of an atom or molecule via quadrupolar level crossing resonance (QLCR) spectroscopy. We use Li+TCNQ–
Radio-frequency manipulation of state populations in an entangled fluorine-muon-fluorine system
• Physics
• 2022
Entangled spin states are created by implanting muons into single crystal LiY 0 . 95 Ho 0 . 05 F 4 to form a cluster of correlated, dipole-coupled local magnetic moments. The resulting states have
Many-Body Quantum Muon Effects and Quadrupolar Coupling in Solid Nitrogen
• Physics
• 2022
M.Gomilšek,1, 2, 3 F. L. Pratt,4 S. P. Cottrell,4 S. J. Clark,3 and T. Lancaster3 1Jožef Stefan Institute, Jamova c. 39, SI-1000 Ljubljana, Slovenia 2Faculty of Mathematics and Physics, University of

## References

SHOWING 1-10 OF 49 REFERENCES
Computational prediction of muon stopping sites using ab initio random structure searching (AIRSS).
• Computer Science
The Journal of chemical physics
• 2018
This work proposes a purely theoretical method to predict muon stopping sites in crystalline materials from first principles, based on a combination of ab initio calculations, random structure searching, and machine learning, and it has successfully predicted the MuT and MuBC stopping sites of muonium in Si, diamond, and Ge.
Comparison between density functional theory and density functional tight binding approaches for finding the muon stopping site in organic molecular crystals.
• Computer Science
The Journal of chemical physics
• 2019
This work tests a computational approach to finding the possible stopping sites for muons inside a crystalline sample using density functional theory software in combination with a random structure searching approach that relies on a Poisson sphere distribution, and proposes the use of DFTB+ as a viable alternative to more cumbersome simulations for routine site-finding in organic materials.
Muon contact hyperfine field in metals: A DFT calculation
• Physics
• 2018
In positive muon spin rotation and relaxation spectroscopy it is becoming nowadays customary to take advantage of Density Functional Theory (DFT) based computational methods to aid the experimental
Anisotropic local modification of crystal field levels in Pr-based pyrochlores: a muon-induced effect modeled using density functional theory.
• Physics
Physical review letters
• 2015
This work identifies an experimental situation in which the measured response is dominated by an effect resulting from the muon-induced local distortion rather than the intrinsic behavior of the host compound.
Playing quantum hide-and-seek with the muon: localizing muon stopping sites
• Physics
• 2013
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 perturbation of its host.
Understanding the µ SR spectra of MnSi without magnetic polarons
• Physics
• 2014
Transverse-field muon-spin rotation ($\mu$SR) experiments were performed on a single crystal sample of the non-centrosymmetric system MnSi. The observed angular dependence of the muon precession
Quantum states of muons in fluorides.
• Physics, Materials Science
• 2013
Muon-spin relaxation (${\ensuremath{\mu}}^{+}$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
Quantum magnetism in molecular spin ladders probed with muon-spin spectroscopy
• Physics
New Journal of Physics
• 2018
We present the results of muon-spin spectroscopy (μ +SR) measurements on the molecular spin ladder system (Hpip)2CuBr4(1−x)Cl4x , [Hpip = (C5H12N)]. Using transverse field μ +SR we are able to
Muon-fluorine entangled states in molecular magnets.
• Physics
Physical review letters
• 2007
It is demonstrated here the possibility of localizing a spin polarized muon in a known stopping state in a molecular material containing fluorine, and this property is used to identify three classes of sites that occur in molecular magnets and describe the extent to which the muon distorts its surroundings.
Site of the positive muon in YBa2Cu3O7
• Physics
• 1991
A combination of μSR and17O nuclear quadrupolar μLCR has been used to obtain detailed information on the muon site in YBa2Cu3O7. The rms magnitude of the nuclear dipolar fields in YBa2Cu3O7 enriched