Dresden 2020 – scientific programme
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TT: Fachverband Tiefe Temperaturen
TT 47: Poster Session Correlated Electrons 2
TT 47.17: Poster
Wednesday, March 18, 2020, 15:00–19:00, P2/3OG
Response functions for correlated systems with LDA+DMFT — •Julian Mußhoff1,2 and Eva Pavarini1,3 — 1Forschungszentrum 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