Dresden 2020 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 47: Poster Session Correlated Electrons 2

TT 47.17: Poster

Mittwoch, 18. März 2020, 15:00–19:00, P2/3OG

Response functions for correlated systems with LDA+DMFT — •Julian Mußhoff1,2 and Eva Pavarini1,31Forschungszentrum Juelich GmbH, Institute for Advanced Simulation, Juelich, Germany — 2RWTH Aachen University, Aachen, Germany — 3JARA-HPC, RWTH Aachen University, Aachen, Germany

Response functions are essential to compare theoretical calculations with experiments. For strongly correlated systems the calculation of the associated two-particle Green functions remains challenging, however. The state-of-the-art approach is the LDA+DMFT method. Here we adopt this technique; we use the strong-coupling continuous-time quantum Monte Carlo approach as the quantum impurity solver. Our massively-parallel general implementation [1,2] allows us to calculate response functions in different efficient polynomial bases. We will present recent results on the magnetic and orbital ordering mechanism in K2CuF4 [2]. In addition, we will discuss the application to layered cuprates, with and without doping.
[1] A. Flesch, E. Gorelov, E. Koch, E. Pavarini, Phys. Rev. B 87, (2013) 195141
[2] J. Musshoff, G. Zhang, E. Koch, E. Pavarini, Phys. Rev. B 100, (2019) 045116

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