First, the theoretical quantum mechanical approach for simulating the time dependent muon spin polarization is described together with its implementation in the open-source, UNDI software package. In particular, the computationally fast and efficient method by Celio is described. Also within this approach, the effects of the electric quadrupolar interactions relevant to accurately capture the physical properties for nuclei with large moment are incorporated. The approach is demonstrated for LiF, Cu, MnSi and utilized to study muon sites and magnetic properties in these compounds.

Stima dei siti e degli accoppiamenti del muone in materiali magnetici e superconduttori: verso una simulazione automatizzata

Muhammad Maikudi, Isah
2022

Abstract

First, the theoretical quantum mechanical approach for simulating the time dependent muon spin polarization is described together with its implementation in the open-source, UNDI software package. In particular, the computationally fast and efficient method by Celio is described. Also within this approach, the effects of the electric quadrupolar interactions relevant to accurately capture the physical properties for nuclei with large moment are incorporated. The approach is demonstrated for LiF, Cu, MnSi and utilized to study muon sites and magnetic properties in these compounds.
Muon sites and couplings in magnetic and superconducting materials: towards high-throughput modelling
20-giu-2022
ENG
Muon
Muon-spin
Muon-spin spectroscopy
Density functional theory
DFT
Muon stopping sites
High-throughput
Polarization
Celio
Electric field gradient
EFG
MAGNDATA
AiiDA
Magnetic materials
Superconducting materials
FIS/03
Roberto, De Renzi
Università degli studi di Parma. Dipartimento di Scienze Matematiche, fisiche e informatiche
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14242/196167
Il codice NBN di questa tesi è URN:NBN:IT:UNIPR-196167