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arXiv · 1911.05420

Nonlocal Exchange Interactions in Strongly Correlated Electron Systems

Edin Kapetanović·Malte Schüler·Gerd Czycholl·Tim O. Wehling
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Abstract

We study the influence of ferromagnetic nonlocal exchange on correlated electrons in terms of a $SU(2)$-Hubbard-Heisenberg model and address the interplay of on-site interaction induced local moment formation and the competition of ferromagnetic direct and antiferromagnetic kinetic exchange interactions. In order to simulate thermodynamic properties of the system in a way that largely accounts for the on-site interaction driven correlations in the system, we advance the correlated variational scheme introduced in [M. Schüler et al., Phys. Rev. Lett. 111, 036601 (2013)] to account for explicitily symmetry broken electronic phases by introducing an auxiliary magnetic field. After benchmarking the method against exact solutions of a finite system, we study the $SU(2)$-Hubbard-Heisenberg model on a square lattice. We obtain the $U$-$J$ finite temperature phase diagram of a $SU(2)$-Hubbard-Heisenberg model within the correlated variational approach and compare to static mean field theory. While the generalized variational principle and static mean field theory yield transitions from dominant ferromagnetic to antiferromagnetic correlations in similar regions of the phase diagram, we find that the nature of the associated phase tranistions differs between the two approaches. The fluctuations accounted for in the generalized variational approach render the transitions continuous, while static mean field theory predicts discontinuous transitions between ferro- and antiferromagnetically ordered states.

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Edin Kapetanović, Malte Schüler, Gerd Czycholl, Tim O. Wehling. 2019-11-13. Nonlocal Exchange Interactions in Strongly Correlated Electron Systems. https://doi.org/10.1103/physrevb.101.235165

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