IMX Seminar Series - Theoretical spectroscopy at interfaces

Interfaces are most exciting since one can expect new properties that are absent in either of their building blocks. They open new perspectives towards the design and tailoring of materials with desired features and functions, e.g. for applications in opto-electronics. Theoretical spectroscopy, combining Green-function based methods and density-functional theory provide powerful tools for the in-depth understanding of the response of such materials to excitations by electromagnetic radiation. I’ll discuss the theoretical concepts, recent progress, and critical challenges in understanding level alignment and light-matter interaction in selected examples, including 2D heterostructures and organic/inorganic hybrid systems.

Bio: Claudia Draxl is Einstein Professor at the Humboldt-Universität and Max-Planck Fellow at the Fritz-Haber-Institut Berlin, Germany. She studied physics and mathematics at the University of Graz, where she got her PhD in solid-state theory. Her research interests cover theorectical concepts and methodology, the development of computer codes, and their application to answer questions related to a variety of materials and their properties. Examples are conventional and organic semi-conductors and interfaces thereof, complex alloys, 2D systems, oxides, and more. A major focus is on excited states, using and developing techniques beyond density functional theory as implemented in the exciting code that is developed in her group. Another focus point concerns data-driven research. She is one of the founders of the Novel Materials Discovery (NOMAD) Repository.