Ab initio simulation of electronic excitation and relaxation (B02)

• Subject Area: Experimental Condensed Matter Physics
• Term: since 2016
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 278162697

The project simulates the dynamics on the femtosecond time scale in low-dimensional systems following optical excitation. The employed methods comprise time-dependent density functional theory combined with Ehrenfest dynamics of the atomic coordinates. Moreover, phonons and electron-phonon coupling will be studied by static DFT calculations. We plan to investigate the excitation of phonons in 2D materials by inelastic electron tunneling and of recently discovered chiral phonons by optical excitation with polarized light.

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 1242: Non-equilibrium dynamics of condensed matter in the time domain
• Applicant Institution: Universität Duisburg-Essen
• Project Head: Professor Dr. Peter Kratzer