RAMAN SPEKTROSKOPIE DISSERTATION

This versatility, however, makes its theoretical description very challenging and, up to now, no fully satisfactory and general way for the calculation of Raman spectra from first principles exists. Diese Vielseitigkeit macht ihre theoretische Beschreibung jedoch sehr herausfordernd, sodass bis heute kein allgemeiner ab initio Zugang existiert. In this thesis, we aim to fill this gap and present a coherent theory of Raman scattering within the framework of many-body perturbation theory. We develop a novel and general, correlation function-based approach for the calculation of Raman scattering rates that can potentially also be applied to ultra-fast Raman spectroscopy out of equilibrium. As a first test case, we apply our theory to graphene, for which we use it to study the laser frequency and Fermi energy dependence of the Raman G-peak intensity. Lastly, we present work on the application of magneto- Raman spectroscopy as a probe for many-body effects in graphene.

ORBi lu Detailled reference. Besides these theoretical developments, we present concrete computational recipes for the calculation of Raman intensities that allow the inclusion of both excitonic effects and non-adiabatic effects of lattice vibrations. Schmidt, Thomas Member of the jury: O pen R epository and Bi bliography. Lastly, we present work on the application of magneto- Raman spectroscopy as a probe for many-body effects in graphene. This versatility, however, makes its theoretical description very challenging and, up to now, no fully satisfactory and general way for the calculation of Raman spectra from first principles exists. This applies not only to graphene but also to other two-dimensional materials of current interest, such as MoTe2 and MoS2.

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The latter has so far not been possible with state-of-the-art methods, which can only take into account one of the two effects.

Completed Theses | 5th Institute of Physics | University of Stuttgart

We develop a novel and general, correlation function-based approach for the calculation of Raman scattering rates that can potentially also be applied to ultra-fast Raman spectroscopy out of equilibrium.

Doctoral thesis Discipline s: In addition to the development of a consistent and comprehensive description of Raman scattering, we derive a novel approach for the calculation of phonon frequencies and the screened electron-phonon coupling.

Our new method goes beyond the disserration of the methods currently in use and will permit the computation of phonon-related quantities also in systems with strong correlation effects such as Kohn anomalies e.

raman spektroskopie dissertation

The flexibility of our approach also allows us to demonstrate that non-resonant processes and quantum mechanical interference effects play a significant role in Raman scattering. University of Luxembourg Library.

raman spektroskopie dissertation

Besides these theoretical developments, we present concrete computational recipes for the calculation of Raman intensities that didsertation the inclusion of both excitonic effects and non-adiabatic effects of lattice vibrations.

Physics and Materials Science To cite this reference: Spektrosiopie, Ludger Stampfer, Christoph President of the jury: As a first test case, we apply our theory to graphene, for which we use it to study the laser frequency and Fermi energy dependence of the Raman G-peak intensity.

Schmidt, Thomas Member of the jury: All documents in ORBi lu are protected by a user license.

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O pen R epository and Bi bliography. It can be applied also to strongly correlated systems, for which the currently used methods are not entirely satisfactory or insufficient.

Here we focus on the description of the phenomenon of magneto-phonon resonances and how it can be used to probe electronic excitation energies and to extract electron and phonon lifetimes. Diese Vielseitigkeit macht ihre theoretische Beschreibung jedoch sehr herausfordernd, sodass sektroskopie heute kein allgemeiner ab initio Zugang existiert.

Docteur en Physique; Doktor der Naturwissenschaften Number of pages: This applies not only to graphene but also to other two-dimensional materials of current interest, such as MoTe2 and MoS2.

raman spektroskopie dissertation

Dies trifft auch auf andere zweidimensionale Materialien zu, wie z. This versatility, however, disserttaion its theoretical description very challenging and, up to now, no fully satisfactory and general way for the calculation of Raman spectra from first principles exists.

In this thesis, we aim to fill this gap and present a coherent theory of Raman scattering within the framework of many-body perturbation theory. ORBi lu Detailled reference. Lastly, we present work on the application of magneto- Raman spectroscopy as a probe for many-body effects in graphene.