Od měkké k tvrdé rentgenové fotoemisi a fotoelektronové difrakci: Nové teoretické přístupy a analýza Kikuchiho difrakce

Abstract

The electronic properties and structural information of quantum materials are governed by their momentum-resolved band structures and atom-specific scattering phenomena. Time-of-flight (ToF)-based momentum microscopy is rapidly gaining traction in photoemission research, as it allows for the simultaneous energy- and momentum-resolved acquisition of the full photoelectron distribution. It is an innovative multidimensional photoemission data-recording technique, merging full-field k-microscopy with ToF parallel energy recording. This cutting-edge technique has established itself as a new trend that can directly image in momentum space, eliminating the need for transformation routines and achieving orders of magnitude improvements in detection efficiency compared to traditional methods using hemispherical analyzers and ToF angle-resolved photoemisison spectroscopy (ARPES) spectrometers. In this thesis, we implement and apply a novel computational tool that reproduces data from this ToF technique in terms of photoelectron diffraction (PED) across a wide photon energy range (\sim400 eV to 6 keV). In addition, we develop a model to optimize the band-fitting process for high-energy ARPES.