2013-09-04T23:59:59Z
2020-07-15T13:11:55Z
Dynamical correlation in solids : a perspective in photoelectron spectroscopy
2012
2012-01-01
My thesis fits into the domain of theoretical spectroscopy. This term describes a set of theoretical approaches that go hand-in-hand with several experimental techniques such as optical absorption and reflectivity, inelastic X-ray scattering (IXS), electron energy-loss spectroscopy (EELS) and photoelectron (or photoemission) spectroscopy. This set of ab-initio theories is used to simulate, study, predict and understand what is and will be seen in experiment. These spectroscopies are all connected to the dielectric function ε(ω ) of an electronic system which is, in fact, a fundamental quantity in many modern electronic structure theories. In particular I focused my research on photoemission spectroscopy, where the dielectric function enters as the screening of the hole due to the system. During my thesis I have worked on the development of new theoretical approaches, the aim of my project being to go beyond state-of-the-art methods used in electronic structure calculations. These methods stem mainly from two larger theoretical frameworks: Time-Dependent Density-functional Theory (TDDFT) and Green's function theory -- also known as Many-Body Perturbation Theory (MBPT). I carried on the theoretical development in parallel with numerical simulations on real materials and with experimental measurements, performed to verify the reliability of theory.
Spectroscopie photoélectronique
Structure électronique
Photoemission
Gw
Vertex corrections
Satellites
Correlation
Guzzo, Matteo
Sottile, Francesco
Palaiseau, Ecole polytechnique
http://www.theses.fr/2012EPXX0069/document