Interplay of lattice, charge and spin degrees of freedom from first principles (A05)

• Subject Area: Theoretical Condensed Matter Physics
• Term: since 2020
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 422213477

The goal of this project is to get a microscopic theoretical understanding of the interplay of lattice, charge and spin degrees of freedom in systems with complex electronic phases studied in this CRC/TRR. We will investigate their properties under various pressure and symmetry-breaking anisotropic-strain conditions by using a combination of density functional theory, molecular dynamics, Wannier projection techniques, evolutionary algorithms and band structure downfolding and upfolding methods to construct microscopic models.

• DFG Programme: CRC/Transregios
• Subproject of: TRR 288: Elastic Tuning and Response of Electronic Quantum Phases of Matter (ELASTO-Q-MAT)
• Applicant Institution: Goethe-Universität Frankfurt am Main
• Project Head: Professorin Dr. Maria Roser Valenti