Ab initio modelling and design of correlated materials (B02)

• Subject Area: Theoretical Condensed Matter Physics
• Term: from 2007 to 2019
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 31867626

The main goal of this project is to provide a microscopic understanding of the electronic, magnetic and superconducting properties of a selection of correlated frustrated quantum magnets (kagome- and dimer-based systems) and organic charge transfer salts under the effects of pressure, doping and temperature by considering a combination of state-of-the-art density functional theory, molecular dynamics and various many-body methods. For the frustrated quantum magnets we will concentrate on possible phase transitions to charge order, long range magnetic order and superconductivity predicted for these materials. For the charge transfer salts we will develop our methods to investigate possible ferroelectric, relaxor ferroelectric and multiferroic instabilities reported in some of these systems.

• DFG Programme: CRC/Transregios
• Subproject of: TRR 49: Condensed Matter Systems with Variable Many-Body Interactions
• Applicant Institution: Goethe-Universität Frankfurt am Main
• Project Heads: Professor Dr. Harald Jeschke, until 6/2015; Professorin Dr. Maria Roser Valenti