Ultrafast spin dynamics combined with nuclear dynamics in 2D and 3D (A04)

• Subject Area: Theoretical Condensed Matter Physics
• Term: since 2018
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 328545488

This project is divided into two work packages. Work package 1 will be carried out at MPI Halle (code development) and work package 2 at MBI Berlin (calculations of the ultrafast dynamics). We will study ultrafast coupled spin, charge and nuclear (lattice) dynamics using time-dependent density-functional theory (TDDFT) in 2D and 3D materials including bulk, interfaces, hetero-structures and surfaces under non-equilibrium conditions. To do so, we will develop a new formalism for the treatment of the coupling of charge and spins to the nuclear degrees of freedom and electromagnetic fields will be developed, which also permits the description of dynamic excitons. These goals will be implemented using a state-of-the-art electronic structure code, which is applied to various (2D, interfaces, heterostructures and bulk) materials exposed to various electromagnetic fields corresponding to ultrafast optical excitations in the experiments.

• DFG Programme: CRC/Transregios
• Subproject of: TRR 227: Ultrafast Spin Dynamics
• Applicant Institution: Freie Universität Berlin
• Project Heads: Dr. John Kay Dewhurst, since 1/2022; Professorin Sangeeta Sharma, Ph.D.