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Dynamical correlation in solids: a perspective in photoelectron spectroscopy

Abstract : 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 photoe- mission) spectroscopy. This set of ab-initio theories is used to simulate, study, predict and understand what is and will be seen in experiment. These spectro- scopies 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 sys- tem. 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 meth- ods used in electronic structure calculations. These methods stem mainly from two larger theoretical frameworks: Time-Dependent Density-Functional The- ory (TDDFT) and Green's function theory -- also known as Many-Body Pertur- bation 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.
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Submitted on : Monday, February 4, 2013 - 4:29:26 PM
Last modification on : Sunday, June 26, 2022 - 12:33:34 AM
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  • HAL Id : pastel-00784815, version 1



Matteo Guzzo. Dynamical correlation in solids: a perspective in photoelectron spectroscopy. Other [cond-mat.other]. Ecole Polytechnique X, 2012. English. ⟨pastel-00784815⟩



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