Dresden 2020 – scientific programme

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O: Fachverband Oberflächenphysik

O 71: Electronic Structure of Surfaces I

O 71.3: Talk

Wednesday, March 18, 2020, 15:45–16:00, REC C 213

The one-step model of time-dependent photoemission combined with time-dependent density functional theory — •Jürgen Braun, Sergiy Mankovsky, and Hubert Ebert — Department Chemie, LMU München

Our fully relativistic one-step model approach to time-resolved photoemission aims at a quantitative description of time-dependent spectroscopic properties of specific solid systems under consideration [1]. The formalism allows for the inclusion of static correlation effects within the LSDA+DMFT approach as well as for the inclusion of a time-dependent potential V(r,t), which in principle is available from TDDFT. We used the Elk code [2] to calculate spin- and time-dependent potentials and corresponding occupation numbers for ferromagnetic Fe and Co. These objects, which serve as input quantities for our spectroscopical analysis, represent the feed back of the system generated by a pump pulse. The calculations are compared to corresponding pump-probe experiments.

[1] J. Braun and H. Ebert, Relativistic theory of 2PPE from ferromagnetic materials, Phys. Rev. B 98, 245142 (2018)

[2] Elk.sourceforge.net: K. Dewhurst, S. Sharma, L. Nordström, O. Granas, E.K.U. Gross et al. (2019)