Functionals for TDDFT description of electron transport in nanostructures

La Teoria di Densità Funzionale (DFT) e la sua versione dipendente dal tempo (TDDFT) sono strumenti largamente usati per simulare e calcolare le proprietà statiche e dinamiche di sistemi con elettroni interagenti. La precisione del metodo si basa su una serie di approssimazioni degli effetti di exchange correlation fra gli elettroni, descritti da un funzionale della sola densità di carica. Nella presente tesi viene testata l'affidabilità del funzionale Mixed Localization Potential (MLP), una media pesata fra Single Orbital Approximation (SOA) e un potenziale di riferimento, ad esempio Local Density Approximation (LDA). I risultati mostrano capacità simulative superiori a LDA per i sistemi statici (curando anche un limite di LDA noto in letteratura come fractional dissociation) e dei progressi per sistemi dinamici quando si sviluppano correnti di carica. Il livello di localizzazione del sistema, inteso come la capacità di un elettrone di tenere lontani da sé altri elettroni, è descritto dalla funzione Electron Localization Function (ELF). Viene studiato il suo ruolo come guida nella costruzione e ottimizzazione del funzionale MLP.

Quality controls for the Mu2e electromagnetic calorimeter and R&D studies for the muon capture rate determination

According to the SM, while Lepton Flavour Violation is allowed in the neutral sector, Charged Lepton Flavour Violation (CLFV) processes are forbidden. The Mu2e Experiment at Fermilab will search for the CLFV process of neutrinoless conversion of a muon into an electron within the field of an Al nucleus. The Mu2e detectors and its state-of-the-art superconducting magnetic system are presented, with special focus put to the electromagnetic crystal calorimeter. The calorimeter is composed by two annular disks, each one hosting pure CsI crystals read-out by custom silicon photomultipliers (SiPMs). The SiPMs are amplified by custom electronics (FEE) and are glued to copper holders in group of 2 SiPMs and 2 FEE boards thus forming a crystal Readout Unit. These Readout Units are being tested at the Quality Control (QC) Station, whose design, realization and operations are presented in this work. The QC Station allows to determine the gain, the response and the photon detection efficiency of each unit and to evaluate the dependence of these parameters from the supply voltage and temperature. The station is powered by two remotely-controlled power supplies and monitored thanks to a Slow Control system which is also illustrated in this work. In this thesis, we also demonstrated that the calorimeter can perform its own measurement of the Mu2e normalization factor, i.e. the counting of the 1.8 MeV photon line produced in nuclear muon captures. A specific calorimeter sub-system called CAPHRI, composed by four LYSO crystals with SiPM readout, has been designed and tested. We simulated the capability of this system on performing this task showing that it can get a faster and more reliable measurement of the muon capture rates with respect to the current Mu2e detector dedicated to this measurement. The characterization of energy resolution and response uniformity of the four procured LYSO crystals are llustrated.