In: Physical Review B, 2016, vol. 93, no. 15, p. 155161
We study the symmetry-broken phases in two- and three-orbital Hubbard models with lifted orbital degeneracy using dynamical mean-field theory. On the technical level, we explain how symmetry relations can be exploited to measure the four-point correlation functions needed for the calculation of the lattice susceptibilities. In the half-filled two- orbital model with crystal-field splitting, we...
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In: Physical Review B, 2018, vol. 97, no. 16, p. 165119
Local spin fluctuations provide the glue for orbital-singlet spin-triplet pairing in the doped Mott insulating regime of multiorbital Hubbard models. At large Hubbard repulsion U, the pairing susceptibility is nevertheless tiny because the pairing interaction cannot overcome the suppression of charge fluctuations. Using nonequilibrium dynamical mean field simulations of the two-orbital...
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In: Physical Review B, 2020, vol. 102, no. 19, p. 195103
An antiferromagnetic Hund coupling in multiorbital Hubbard systems induces orbital freezing and an associated superconducting instability, as well as unique composite orders in the case of an odd number of orbitals. While the rich phase diagram of the half-filled three-orbital model has recently been explored in detail, the properties of the doped system remain to be clarified. Here, we...
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In: Physical Review B, 2016, vol. 94, no. 7, p. 075107
We solve the orbitally degenerate two-band Hubbard model within dynamical mean field theory and map out the instabilities to various symmetry-broken phases based on an analysis of the corresponding lattice susceptibilities. Phase diagrams as a function of the Hund coupling parameter J are obtained both for the model with rotationally invariant interaction and for the model with Ising-type...
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In: Physical Review B, 2020, vol. 101, no. 4, p. 041104
Superconductivity with a remarkably high Tc has recently been found in Sr-doped NdNiO2 thin films. While this system bears strong similarities to the cuprates, some differences, such as a weaker antiferromagnetic exchange coupling and possible high-spin moments on the doped Ni sites have been pointed out. Here, we investigate the effect of Hund coupling and crystal field splitting in a simple...
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In: Physical Review Letters, 2015, vol. 115, no. 15, p. 156401
We study the prototype 5d pyrochlore iridate Y2Ir2O7 from first principles using the local density approximation and dynamical mean-field theory (LDA+DMFT). We map out the phase diagram in the space of temperature, on-site Coulomb repulsion U, and filling. Consistent with experiments, we find that an all-in–all-out ordered insulating phase is stable for realistic values of U. The trigonal...
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In: EPL (Europhysics Letters), 2018, vol. 124, no. 5, p. 57002
Spin-freezing is the origin of bad-metal physics and non-Fermi liquid (non-FL) properties in a broad range of correlated compounds. In a multi-orbital lattice system with Hund coupling, doping of the half-filled Mott insulator results in a highly incoherent metal with frozen magnetic moments. These moments fluctuate and collapse in a crossover region that is characterized by unusual non-Fermi...
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In: Physical Review B, 2018, vol. 98, no. 23, p. 235120
We study a three-orbital Hubbard model with negative Hund's coupling in infinite dimensions, combining dynamical mean-field theory with continuous time quantum Monte Carlo simulations. This model, which is relevant for the description of alkali- doped fullerides, has previously been shown to exhibit a spontaneous orbital-selective Mott phase in the vicinity of the superconducting phase....
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In: Physical Review Letters, 2017, vol. 118, no. 17, p. 177002
The alkali-doped fullerides A3C60 are half-filled three-orbital Hubbard systems which exhibit an unconventional superconducting phase next to a Mott insulator. While the pairing is understood to arise from an effectively negative Hund coupling, the highly unusual Jahn-Teller metal near the Mott transition, featuring both localized and itinerant electrons, has not been understood. This...
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In: Physical Review B, 2019, vol. 99, no. 8, p. 085131
We study ordered phases with broken translational symmetry in the half-filled three- orbital Hubbard model with antiferromagnetic Hund coupling by means of dynamical mean-field theory (DMFT) and continuous-time quantum Monte Carlo simulations. The stability regions of the antiferro-orbital (AFO), antiferromagnetic (AFM), and charge density wave (CDW) states are determined by measuring the...
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