Van-der-Waals effects on dynamics and THz spectroscopy of HIOS (A10*)

• Subject Area: Theoretical Condensed Matter Physics
• Term: from 2015 to 2019
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 182087777

The binding between conjugated organic molecules and inorganic substrates is mainly driven by van-der-Waals (vdW) interactions. These vdW interactions must be treated self-consistently by many-body methods based on a quantum-mechanical description of the system. We will systematically study the role of self-consistent many-body vdW interactions in HIOS. We will develop, implement, and apply the self-consistent DFT+MBD method to study static and time-dependent phenomena for a hierarchy of HIOS. These results will be compared with linear and non-linear THz spectroscopy by the experimental projects. Close exchange with other theory projects will provide access to reliable benchmarks for vdW interactions in HIOS.

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 951: Hybrid Inorganic/Organic Systems for Opto-Electronics (HIOS)
• Applicant Institution: Humboldt-Universität zu Berlin
• Co-Applicant Institution: Fritz-Haber-Institut der Max-Planck-Gesellschaft (FHI) ; Abteilung Theorie
• Project Heads: Professor Dr. Matthias Scheffler; Professor Dr. Alexandre Tkatchenko