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TRIM Simulations Tool for µ+ Stopping Fraction in Hydrostatic Pressure Cells
KTH, School of Engineering Sciences (SCI), Applied Physics, Light and Matter Physics.ORCID iD: 0000-0001-5883-7442
Laboratory for Muon Spin Spectroscopy, Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland.ORCID iD: 0000-0001-5453-0195
Laboratory for Neutron and Muon Instrumentation, Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland; Department of Physics, Chalmers University of Technology, Göteborg, SE-412 96, Sweden.ORCID iD: 0000-0002-2697-2938
Department of Physics, Chalmers University of Technology, Göteborg, SE-412 96, Sweden.ORCID iD: 0000-0001-8879-7875
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2023 (English)In: Journal of Physics, Conference Series, ISSN 1742-6588, E-ISSN 1742-6596, Vol. 2462, no 1, article id 012024Article in journal (Refereed) Published
Abstract [en]

For quantum systems or materials, a common procedure for probing their behaviour is to tune electronic/magnetic properties using external parameters, e.g. temperature, magnetic field or pressure. Pressure application as an external stimuli is a widely used tool, where the sample in question is inserted into a pressure cell providing a hydrostatic pressure condition. Such device causes some practical problems when using in Muon Spin Rotation/Relaxation (µ+SR) experiments as a large proportion of the muons will be implanted in the pressure cell rather than in the sample, resulting in a higher background signal. This issue gets further amplified when the temperature dependent response from the sample is much smaller than that of the pressure cell,which may cause the sample response to be lost in the background and cause difficulties in aligning the sample within the beam. To tackle this issue, we have used pySRIM [1] to construct a practical and helpful simulation tool for calculating muon stopping fractions, specifically for the pressure cell setup at the µE1 beamline using the GPD spectrometer at the Paul Scherrer Institute, with the use of TRIM simulations. The program is used to estimate the number of muon stopping in both the sample and the pressure cell at a given momentum. The simultion tool is programmed into a GUI, making it accessible to user to approximate prior to their experiments at GPD what fractions will belong to the sample and the pressure cell in their fitting procedure.

Place, publisher, year, edition, pages
IOP Publishing , 2023. Vol. 2462, no 1, article id 012024
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-369155DOI: 10.1088/1742-6596/2462/1/012024ISI: 000995428200024Scopus ID: 2-s2.0-85152619404OAI: oai:DiVA.org:kth-369155DiVA, id: diva2:1993068
Conference
15th International Conference on Muon Spin Rotation, Relaxation and Resonance (SR), AUG 28-SEP 02, 2022, Univ Parma, Parma, Italy
Note

QC 20250918

Available from: 2025-08-29 Created: 2025-08-29 Last updated: 2025-09-30Bibliographically approved
In thesis
1. Low Dimensional Systems: Order and Disorder on the Quantum Scale
Open this publication in new window or tab >>Low Dimensional Systems: Order and Disorder on the Quantum Scale
2025 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

This thesis presents a series of investigations focusing on emergent phenomena in low-dimensional materials, with particular emphasis on superconductivity, charge density waves (CDWs), and magnetism. The primary experimental techniques employed are muon spin rotation/relaxation/resonance (µ+SR), neutron scattering, and X-ray scattering. The relevant theoretical background is introduced in Chapter 2. The fundamentals of the experimental techniques are presented in Chapter 3. Chapter 4 outlines the theoretical techniques used in this thesis. Chapter 5 provides a summary of the work performed on the square lattice Heisenberg antiferromagnet CuF2(D2O)2(pyz), focusing on the field effects on the magnetic excitations. Chapter 6 summarizes the appended papers, both the background of the material involved as well as the key results and findings. In the family of transition metal dichalcogenides, materials such as 1T-TiSe2 and 2H-TaS2 are studied to investigate their superconducting ground states. In TiSe2, a multi-gap superconducting state is identified, with evidence pointing to a Lifshitz transition under pressure. In 2H-TaS2, conventional superconductivity is confirmed alongside unconventional CDW behavior, including the first observed Kohn anomaly in the system. These findings underscore the delicate interplay between structural polymorphism, dimensionality, and external tuning parameters. In the field of low-dimensional magnetism, CuF2(D2O)2(pyz) is examined as a realization of the square lattice Heisenberg antiferromagnet. Here, unexpected high-energy excitations are observed under moderate fields, supported by matrix product state simulations. Another key material, (C5H9NH3)2CuBr4, serves as a platform for exploring the quantum spin ladder model under pressure. The application of hydrostatic pressure induces a transition from antiferromagnetic disorder to long-range ferromagnetic order. Chapter 7 concludes the thesis by summarizing the key findings and proposing future avenues of research, including further spectroscopic studies to elucidate the superconducting and magnetic mechanisms at play. While these studies are grounded in fundamental science, their implications may extend toward future materials development for energy-efficient technologies. The work presented here highlights the richness of low-dimensional systems as fertile ground for novel quantum phenomena and deepens our understanding of how interactions and symmetry shape the physical world.

Abstract [sv]

Denna avhandling presenterar en serie undersökningar med fokus på framväxade fenomen i lågdimensionella material, med särskild betoning på supraledning, laddningsdensitetsvågor (CDWs) och magnetism. De huvudsakliga experimentella teknikerna som används är myonspinnrotation/-relaxation/-resonans (µ+SR), neutron- och röntgenspridning. Den teoretiska fysikaliska bakgrunden till fysiken introduceras i Kapitel 2. Grunderna för de experimentella teknikerna presenteras i Kapitel 3. Kapitel 4 beskriver de teoretiska metoder som används i avhandlingen. Kapitel 5 sammanfattar arbetet som utförts på den kvadratiska gitter-Heisenberg-antiferromagneten CuF2(D2O)2(pyz), med fokus på fälteffekter på de magnetiska excitationerna. Kapitel 6 sammanfattar de bifogade artiklarna, både bakgrunden till materialet och de viktigaste resultaten. Inom familjen av övergångsmetall-dikalcogenider studeras material såsom 1T-TiSe2 och 2H-TaS2 för att undersöka deras supraledande grundtillstånd. I TiSe2 identifieras ett multigap-supraledande tillstånd, med resultat som tyder på en Lifshitz-övergång under tryck. I 2H-TaS2 bekräftas konventionell supraledning tillsammans med okonventionellt CDW-beteende, vilket inkluderar den första obervationen Kohn-anomalin i systemet. Dessa resultat understryker det känsliga samspelet mellan strukturell polymorfism, dimensionalitet och yttre justeringsparametrar. Inom området lågdimensionell magnetism undersöks CuF2(D2O)2(pyz) som en realisering av den kvadratiska gitter-Heisenberg-antiferromagnetmodellen. Här observeras oväntade högenergetiska excitationer under måttliga fält, vilket stöds av simuleringar med matrix product states. Ett annat nyckelmaterial, (C5H9NH3)2CuBr4, fungerar som en plattform för att utforska kvantspinstegesmodellen under tryck. Tillämpning av hydrostatiskt tryck inducerar en övergång från antiferromagnetisk oordning till långräckviddig ferromagnetisk ordning. Kapitel 7 avslutar avhandlingen med att sammanfatta de centrala resultaten och föreslå framtida forskningsvägar, inklusive vidare spektroskopiska studier för att belysa de supraledande och magnetiska mekanismerna. Även om dessa studier är förankrade i grundforskning, kan deras implikationer sträcka sig mot framtida materialutveckling för energimedveten teknologi. Arbetet som presenteras här belyser rikedommen hos lågdimensionella system som bördig mark för nya kvantfenomen och fördjupar vår förståelse av hur växelverkningar och symmetrier formar den fysiska världen.

Place, publisher, year, edition, pages
Stockholm: KTH Royal Institute of Technology, 2025. p. xv, 99
Series
TRITA-SCI-FOU ; 2025:32
Keywords
quantum materials, neutron, muon, X-ray, phase transitions
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:kth:diva-369150 (URN)978-91-8106-357-8 (ISBN)
Public defence
2025-09-22, Rum Pärlan, Albano Campus hus 1, Albanovägen 26, Stockholm, 09:00 (English)
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Supervisors
Note

QC 2025-08-29

Available from: 2025-08-29 Created: 2025-08-29 Last updated: 2025-10-22Bibliographically approved

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Elson, FrankForslund, Ola KenjiMiniotaite, UgnePalm, RasmusSassa, YasmineWeissenrieder, JonasMånsson, Martin

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