No Arabic abstract
Fully occupied or unoccupied bands in a solid are often considered inert and irrelevant to a materials low-energy properties. But the discovery of enhanced superconductivity in heavily electron-doped FeSe-derived superconductors poses questions about the possible role of incipient bands (those laying close to but not crossing the Fermi level) in pairing. To answer this question, researchers have studied pairing correlations in the bilayer Hubbard model, which has an incipient band for large interlayer hopping $t_perp$, using many-body perturbation theory and variational methods. They have generally found that superconductivity is enhanced as one of the bands approaches the Liftshiz transition and even when it becomes incipient. Here, we address this question using the nonperturbative quantum Monte Carlo (QMC) dynamical cluster approximation (DCA) to study the bilayer Hubbard models pairing correlations. We find that the model has robust $s_pm$ pairing correlations in the large $t_perp$ limit, which can become stronger as one band is made incipient. While this behavior is linked to changes in the effective interaction, we further find that it is counteracted by a suppression of the intrinsic pair-field susceptibility and does not translate to an increased $T_c$. Our results demonstrate that the highest achievable transition temperatures in the bilayer Hubbard model occur when the system has two bands crossing the Fermi level.
We study the phase diagram of the two-dimensional repulsive Hubbard model with spin-dependent anisotropic hopping at half-filling. The system develops Ising antiferromagnetic long-range order already at infinitesimal repulsive interaction strength in the ground state. Outside the perturbative regime, unbiased predictions for the critical temperatures of the Ising antiferromagnet are made for representative interaction values by a variety of state-of-the-art quantum Monte Carlo methods, including the diagrammatic Monte Carlo, continuous-time determinantal Monte Carlo and path-integral Monte Carlo methods. Our findings are relevant to ultracold atom experiments in the p-orbital or with spin-dependent optical lattices.
The repulsive Fermi Hubbard model on the square lattice has a rich phase diagram near half-filling (corresponding to the particle density per lattice site $n=1$): for $n=1$ the ground state is an antiferromagnetic insulator, at $0.6 < n lesssim 0.8$, it is a $d_{x^2-y^2}$-wave superfluid (at least for moderately strong interactions $U lesssim 4t$ in terms of the hopping $t$), and the region $1-n ll 1$ is most likely subject to phase separation. Much of this physics is preempted at finite temperatures and to an extent driven by strong magnetic fluctuations, their quantitative characteristics and how they change with the doping level being much less understood. Experiments on ultra-cold atoms have recently gained access to this interesting fluctuation regime, which is now under extensive investigation. In this work we employ a self-consistent skeleton diagrammatic approach to quantify the characteristic temperature scale $T_{M}(n)$ for the onset of magnetic fluctuations with a large correlation length and identify their nature. Our results suggest that the strongest fluctuations---and hence highest $T_{M}$ and easiest experimental access to this regime---are observed at $U/t approx 4-6$.
Motivated by recent experiments with ultra-cold quantum gases in optical lattices we study the decay of the staggered moment in the one-dimensional Fermi-Hubbard model starting from a perfect Neel state using exact diagonalization and the iTEBD method. This extends previous work in which the same problem has been addressed for pure spin Hamiltonians. As a main result, we show that the relaxation dynamics of the double occupancy and of the staggered moment are different. The former is controlled by the nearest-neighbor tunneling rate while the latter is much slower and strongly dependent on the interaction strength, indicating that spin excitations are important. This difference in characteristic energy scales for the fast charge dynamics and the much slower spin dynamics is also reflected in the real-time evolution of nearest-neighbor density and spin correlations. A very interesting time dependence emerges in the von Neumann entropy, which at short times increases linearly with a slope proportional to the tunneling matrix element while the long-time growth of entanglement is controlled by spin excitations. Our predictions for the different relaxation dynamics of the staggered moment and the double occupancy should be observable in state-of-the art optical lattice experiments. We further compare time averages of the double occupancy to both the expectation values in the canonical and diagonal ensemble, which quantitatively disagree with each other on finite systems. We relate the question of thermalization to the eigenstate thermalization hypothesis.
Based on tensor network simulations, we discuss the emergence of dynamical quantum phase transitions (DQPTs) in a half-filled one-dimensional lattice described by the extended Fermi-Hubbard model. Considering different initial states, namely noninteracting, metallic, insulating spin and charge density waves, we identify several types of sudden interaction quenches which lead to dynamical criticality. In different scenarios, clear connections between DQPTs and particular properties of the mean double occupation or charge imbalance can be established. Dynamical transitions resulting solely from high-frequency time-periodic modulation are also found, which are well described by a Floquet effective Hamiltonian. State-of-the-art cold-atom quantum simulators constitute ideal platforms to implement several reported DQPTs experimentally.
One of the distinctive features of hole-doped cuprate superconductors is the onset of a `pseudogap below a temperature $T^*$. Recent experiments suggest that there may be a connection between the existence of the pseudogap and the topology of the Fermi surface. Here, we address this issue by studying the two-dimensional Hubbard model with two distinct numerical methods. We find that the pseudogap only exists when the Fermi surface is hole-like and that, for a broad range of parameters, its opening is concomitant with a Fermi surface topology change from electron- to hole-like. We identify a common link between these observations: the pole-like feature of the electronic self-energy associated with the formation of the pseudogap is found to also control the degree of particle-hole asymmetry, and hence the Fermi surface topology transition. We interpret our results in the framework of an SU(2) gauge theory of fluctuating antiferromagnetism. We show that a mean-field treatment of this theory in a metallic state with U(1) topological order provides an explanation of this pole-like feature, and a good description of our numerical results. We discuss the relevance of our results to experiments on cuprates.