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Theory of Functional Energy Materials

Prof. David Egger

Research Field

We conduct research on atomistic theories of functional materials that drive energy devices such as solar cells. One goal of our work is the discovery of new energy materials which would, for example, allow for a more efficient conversion of sunlight into electricity. To this end, we develop and apply various theoretical methods, such as electronic-structure and molecular-dynamics techniques. These are used for calculating the properties of molecules, solid-state materials as well as nanostructured interfaces.

Address/Contact

James-Franck-Str. 1/I
85748 Garching b. München

Members of the Research Group

Professor

Office

Scientists

Other Staff

Teaching

Course with Participations of Group Members

Offers for Theses in the Group

Dynamic tight-binding method for semiconductors

In this project, the student will investigate the effect of disorder, defects and impurities on the electronic bandstructure of semiconductors using computational methods within density functional theory and band unfolding.

suitable as
  • Bachelor’s Thesis Physics
Supervisor: David Egger
Raman spectroscopy from molecular dynamics
This project is about calculations of Raman spectra for molecules and crystals using autocorrelation functions, molecular dynamics (MD) and density functional theory.
suitable as
  • Bachelor’s Thesis Physics
Supervisor: David Egger
Raman spectroscopy from phonons
This project is about calculations of Raman spectra for molecules and crystals using phonon- and density functional theory.
suitable as
  • Bachelor’s Thesis Physics
Supervisor: David Egger

Current and Finished Theses in the Group

Theoretical characterization of electronic structure and lattice dynamics in complex metal oxides
Abschlussarbeit im Masterstudiengang Physik (Physik der kondensierten Materie)
Themensteller(in): David Egger
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