Speaker
Description
Ab-initio electronic structure calculations have become increasingly reliable and successful in describing relatively complex surfaces or interfaces consisting of hundreds of atoms. However, it is often difficult to extract general trends or to obtain a more global picture. In this talk, I will first present an ab-initio-based model potential which is able to predict the energy position and the wave function overlap of interface states between metals and a wide class of organic semiconductors [1]. As a second example for a simple physical model, I will discuss a scattering approach for two or more electronic resonances at metal surfaces and apply it to image-potential states [2]. Both models have not only provided fundamental insights into the origin and electronic properties of interface states and resonances. They also turned out to be very valuable in interpreting the results of time-resolved 2PPE experiments concerning the ultrafast dynamics of electron transfer processes.
[1] N. Armbrust, F. Schiller, J. Güdde and U. Höfer, Sci. Rep. 7, 46561 (2017).
[2] U. Höfer and P. M. Echenique, Surf. Sci. 643, 203 (2016).
