We study three proposals for broken symmetry in the cuprate pseudogap - oxygen antiferromagnetism, $Theta_{II}$ orbital loop currents, and circulating currents involving apex oxygens - through numerical exploration of multi-orbital Hubbard models. Ou
r numerically exact results show no evidence for the existence of oxygen antiferromagnetic order or the $Theta_{II}$ phase in the three-orbital Hubbard model. The model also fails to sustain an ordered current pattern even with the presence of additional apex oxygen orbitals. We thereby conclude that it is difficult to stabilize the aforementioned phases in the multi-orbital Hubbard models for parameters relevant to cuprate superconductors. However, the $Theta_{II}$ phase might be stabilized through explicit flux terms. We find an enhanced propensity for circulating currents with such terms in calculations simulating applied stress or strain, which skew the copper-oxygen plane to resemble a kagome lattice. We propose an experimental viewpoint to shed additional light on this problem.
Using time-dependent Ginzburg-Landau theory, we study the role of amplitude and phase fluctuations in the recovery of charge and spin stripe phases in response to a pump pulse that melts the orders. For parameters relevant to the case where charge or
der precedes spin order thermodynamically, amplitude recovery governs the initial time scales, while phase recovery controls behavior at longer times. In addition to these intrinsic effects, there is a longer spin re-orientation time scale related to the scattering geometry that dominates the recovery of the spin phase. Coupling between the charge and spin orders locks the amplitude and similarly the phase recovery, reducing the number of distinct time scales. Our results well reproduce the major experimental features of pump-probe x-ray diffraction measurements on the striped nickelate La$_{1.75}$Sr$_{0.25}$NiO$_4$. They highlight the main idea of this work, which is the use of time-dependent Ginzburg-Landau theory to study systems with multiple coexisting order parameters.
We have performed numerical studies of the Hubbard-Holstein model in two dimensions using determinant quantum Monte Carlo (DQMC). Here we present details of the method, emphasizing the treatment of the lattice degrees of freedom, and then study the f
illing and behavior of the fermion sign as a function of model parameters. We find a region of parameter space with large Holstein coupling where the fermion sign recovers despite large values of the Hubbard interaction. This indicates that studies of correlated polarons at finite carrier concentrations are likely accessible to DQMC simulations. We then restrict ourselves to the half-filled model and examine the evolution of the antiferromagnetic structure factor, other metrics for antiferromagnetic and charge-density-wave order, and energetics of the electronic and lattice degrees of freedom as a function of electron-phonon coupling. From this we find further evidence for a competition between charge-density-wave and antiferromagnetic order at half-filling.
We investigate the order parameter dynamics of the stripe-ordered nickelate, La$_{1.75}$Sr$_{0.25}$NiO$_4$, using time-resolved resonant X-ray diffraction. In spite of distinct spin and charge energy scales, the two order parameters amplitude dynamic
s are found to be linked together due to strong coupling. Additionally, the vector nature of the spin sector introduces a longer re-orientation time scale which is absent in the charge sector. These findings demonstrate that the correlation linking the symmetry-broken states does not unbind during the non-equilibrium process, and the time scales are not necessarily associated with the characteristic energy scales of individual degrees of freedom.
We study oxygen K-edge x-ray absorption spectroscopy (XAS) and investigate the validity of the Zhang-Rice singlet (ZRS) picture in overdoped cuprate superconductors. Using large-scale exact diagonalization of the three-orbital Hubbard model, we obser
ve the effect of strong correlations manifesting in a dynamical spectral weight transfer from the upper Hubbard band to the ZRS band. The quantitative agreement between theory and experiment highlights an additional spectral weight reshuffling due to core-hole interaction. Our results confirm the important correlated nature of the cuprates and elucidate the changing orbital character of the low-energy quasi-particles, but also demonstrate the continued relevance of the ZRS even in the overdoped region.
