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DY: Fachverband Dynamik und Statistische Physik

DY 35: Poster: Quantum Dynamics and Many-body Systems

DY 35.10: Poster

Mittwoch, 20. März 2024, 15:00–18:00, Poster D

Nonequilibrium Green functions simulations of 2D hexagonal monolayers with the G1-G2 scheme — •Tim Kalsberger, Christopher Makait, Jan-Philip Joost, and Michael Bonitz — CAU Kiel, Germany

Since their discovery, 2D quantum materials such as graphene and TMDCs have been of great importance in solid state physics due to their unique properties. However, the numerical treatment of these quantum systems with satisfactory accuracy has been severely limited due to their complexity. Previous methods, for instance, utilize density matrix formalism to describe the behavior of electrons in non-equilibrium conditions [1]. Nonequilibrium Green functions (NEGF) provide an alternative method capable of capturing electronic correlations within the material. However, the scaling of NEGF is highly unfavorable due to its two-time nature. The G1-G2 scheme [2] has facilitated significant improvements in this scaling and was already successfully applied to finite graphene systems [3]. Now, this approach is extended to macroscopic systems and we present first results for the electronic relaxation following optical excitations.

[1] T. Winzer et al., Nano letters, 10(12), 4839-4843 (2010)

[2] N. Schlünzen et al., Phys. Rev. Lett., 124, 076601 (2020)

[3] Anna Niggas et al., Phys. Rev. Lett., 129, 086802 (2022)