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 Karl Franzens University Graz

Graz University of Technology 

Electronic structure of organic electronic materials:
Prof. Leeor Kronik
Weitzmann Institute of Science
17:30 - 18:30 Tuesday 13 October 2009 TUG Epcos

Organic electronic materials present a research area of intense fundamental interest, with strong technological implications for organic and molecular electronics. Small organic molecules are typically weakly bound in molecular solids. Nevertheless, the inter-molecular interaction is still large enough to cause significant collective effects. In other words, various electronic properties of the single molecule can differ - sometimes even qualitatively! - from those of either a molecular monolayer or a molecular solid.

In this talk, I will overview our recent theoretical exploration of such effects. I will show how we can understand collective effects and their consequences by comparing density functional theory (DFT) calculations for interesting prototypical systems with suitable experiments and with phenomenological theory based on simple electrostatic and tight-binding models. I will also discuss the unique methodological challenges posed to DFT in dealing with such systems.