Regensburg 2016 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 61: Correlated Electrons: (General) Theory 1

TT 61.4: Vortrag

Donnerstag, 10. März 2016, 10:15–10:30, H18

Susceptibility calculations using a multi-orbital general CT-QMC solver for DMFT — •Julian Mußhoff^1,2, Amin Kiani¹, and Eva Pavarini¹ — ¹Forschungszentrum Jülich GmbH, Institute for Advanced Simulation, 52425 Jülich, Germany — ²Institute for Theory of Statistical Physics RWTH Aachen University, 52074 Aachen, Germany

Susceptibilities describe the response of a system to an external perturbation, and are therefore essential to compare theoretical calculations with experiments. We use a general continuous-time quantum Monte Carlo solver for dynamical mean-field theory to calculate generalized local susceptibilities. The method is applicable to strongly correlated materials with multi-orbital Hamiltonians. We calculate and store the susceptibilities in a compact form by using a Legendre polynomial representation. Furthermore we extend the local susceptibilities to lattice susceptibilities using the Bethe-Salpeter equation. In the talk we show magnetic susceptibility results for a representative system, VOMoO₄.