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O: Fachverband Oberflächenphysik

O 2: Focus Session: Frontiers of Electronic-Structure Theory – Advances in Time-Dependent and Nonequilibrium Ab Initio Methods I

O 2.2: Vortrag

Montag, 18. März 2024, 10:45–11:00, HE 101

Ab initio theory of coherent phonons in semimetals — •Christoph Emeis, Yiming Pan, and Fabio Caruso — Institut für Theoretische Physik und Astrophysik, Christian-Albrechts-Universität zu Kiel, 24118 Kiel, Germany

The spectral signatures of coherent phonons in pump-probe experiments can disclose novel insight into electron-phonon interaction and its influence on ultrafast phenomena. We developed an ab initio framework to describe the coherent phonon dynamics in photo-excited semimetals based on the time-dependent Boltzmann equation and its extension [1]. To illustrate the predictive capability of this approach, we investigate the displacive excitation of coherent phonons in Sb and MoTe₂ and discuss its fingerprints in frequency-domain ARPES, a powerful experimental technique to probe coherent phonons and electron-phonon coupling in semimetals [2]. [1] F. Caruso and D. Novko. Adv. Phys. X 7, 2095925 (2022). [2] P. Hein et al. Nat. Commun. 11, 2613 (2020).

Keywords: semimetals; displacive excitation; coherent phonons; time-dependent Boltzmann equation; frequency-domain ARPES