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Thereza Paiva

Publications and source records attributed to Thereza Paiva.

At least 37 records · Page 2Linked to original sources

Fermi-surface Reconstruction in the Repulsive Fermi-Hubbard Model

One of the fundamental questions about the high temperature cuprate superconductors is the size of the Fermi surface (FS) underlying the superconducting state. By analyzing the single particle spectral function for the Fermi Hubbard model as a function of repulsion $U$ and chemical potential $μ$, we find that the Fermi surface in the normal state reconstructs from a large Fermi surface matching the Luttinger volume as expected in a Fermi liquid, to a Fermi surface that encloses fewer electrons that we dub the "Luttinger Breaking" (LB) phase, as the Mott insulator is approached. This transition into a non-Fermi liquid phase that violates the Luttinger count, is a continuous phase transition at a critical density in the absence of any other broken symmetry. We obtain the Fermi surface contour from the spectral weight $A_{\vec{k}}(ω=0)$ and from an analysis of the poles and zeros of the retarded Green's function $G_{\vec{k}}^{ret}(E=0)$, calculated using determinantal quantum Monte Carlo and analytic continuation methods.We discuss our numerical results in connection with experiments on Hall measurements, scanning tunneling spectroscopy and angle resolved photoemission spectroscopy.

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A kaleidoscope of phases in the dipolar Hubbard model

We investigate the emergence of a myriad of phases in the strong coupling regime of the dipolar Hubbard model in two dimensions. By using a combination of numerically unbiased methods in finite systems with analytical perturbative arguments, we show the versatility that trapped dipolar atoms possess in displaying a wide variety of many-body phases, which can be tuned simply by changing the collective orientation of the atomic dipoles. We further investigate the stability of these phases to thermal fluctuations in the strong coupling regime, highlighting that they can be accessed with current techniques employed in cold atoms experiments on optical lattices. Interestingly, both quantum and thermal phase transitions are signalled by peaks or discontinuities in local moment-local moment correlations, which have been recently measured in some of these experiments, so that they can be used as probes for the onset of different phases.

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Giant Magnetoresistance in Hubbard Chains

We use numerically unbiased methods to show that the one-dimensional Hubbard model with periodically distributed on-site interactions already contains the minimal ingredients to display the phenomenon of magnetoresistance; i.e., by applying an external magnetic field, a dramatic enhancement on the charge transport is achieved. We reach this conclusion based on the computation of the Drude weight and of the single-particle density of states, applying twisted boundary condition averaging to reduce finite-size effects. The known picture that describes the giant magnetoresistance, by interpreting the scattering amplitudes of parallel or antiparallel polarized currents with local magnetizations, is obtained without having to resort to different entities; itinerant and localized charges are indistinguishable.

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Magnetism, transport, and thermodynamics in two-dimensional half-filled Hubbard superlattices

We study magnetic, transport and thermodynamic properties of the half-filled two-dimensional ($2D$) Hubbard model with layered distributed repulsive interactions using unbiased finite temperature quantum Monte Carlo simulations. Antiferromagnetic long-ranged correlations at $T=0$ are confirmed by means of the magnetic structure factor and the onset of short-ranged ones is at a minimum temperature which can be obtained by peaks in susceptibility and specific heat following an RPA prediction. We also show that transport is affected in the large interaction limit and is enhanced in the non-repulsive layers suggesting a change of dimensionality induced by increased interactions. Lastly, we show that by adiabatically switching the interactions in layered distributed patterns reduces the overall temperature of the system with a potential application in cooling protocols in cold atoms systems.

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Observation of canted antiferromagnetism with ultracold fermions in an optical lattice

Understanding the magnetic response of the normal state of the cuprates is considered a key piece in solving the puzzle of their high-temperature superconductivity. The essential physics of these materials is believed to be captured by the Fermi-Hubbard model, a minimal model that has been realized with cold atoms in optical lattices. Here we report on site-resolved measurements of the Fermi-Hubbard model in a spin-imbalanced atomic gas, allowing us to explore the response of the system to large effective magnetic fields. We observe short-range canted antiferromagnetism at half-filling with stronger spin correlations in the direction orthogonal to the magnetization, in contrast with the spin-balanced case where identical correlations are measured for any projection of the pseudospin. The rotational anisotropy of the spin correlators is found to increase with polarization and with distance between the spins. Away from half-filling, the polarization of the gas exhibits non-monotonic behavior with doping for strong interactions, resembling the behavior of the magnetic susceptibility in the cuprates. We compare our measurements to predictions from Determinantal Quantum Monte Carlo (DQMC) and Numerical Linked Cluster Expansion (NLCE) algorithms and find good agreement. Calculations on the doped system are near the limits of these techniques, illustrating the value of cold atom quantum simulations for studying strongly-correlated materials.

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Ferromagnetism beyond Lieb's theorem

The noninteracting electronic structures of tight binding models on bipartite lattices with unequal numbers of sites in the two sublattices have a number of unique features, including the presence of spatially localized eigenstates and flat bands. When a \emph{uniform} on-site Hubbard interaction $U$ is turned on, Lieb proved rigorously that at half filling ($ρ=1$) the ground state has a non-zero spin. In this paper we consider a `CuO$_2$ lattice (also known as `Lieb lattice', or as a decorated square lattice), in which `$d$-orbitals' occupy the vertices of the squares, while `$p$-orbitals' lie halfway between two $d$-orbitals. We use exact Determinant Quantum Monte Carlo (DQMC) simulations to quantify the nature of magnetic order through the behavior of correlation functions and sublattice magnetizations in the different orbitals as a function of $U$ and temperature. We study both the homogeneous (H) case, $U_d= U_p$, originally considered by Lieb, and the inhomogeneous (IH) case, $U_d\neq U_p$. For the H case at half filling, we found that the global magnetization rises sharply at weak coupling, and then stabilizes towards the strong-coupling (Heisenberg) value, as a result of the interplay between the ferromagnetism of like sites and the antiferromagnetism between unlike sites; we verified that the system is an insulator for all $U$. For the IH system at half filling, we argue that the case $U_p\neq U_d$ falls under Lieb's theorem, provided they are positive definite, so we used DQMC to probe the cases $U_p=0,U_d=U$ and $U_p=U, U_d=0$. We found that the different environments of $d$ and $p$ sites lead to a ferromagnetic insulator when $U_d=0$; by contrast, $U_p=0$ leads to to a metal without any magnetic ordering. In addition, we have also established that at density $ρ=1/3$, strong antiferromagnetic correlations set in, caused by the presence of one fermion on each $d$ site.

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Observation of Spatial Charge and Spin Correlations in the 2D Fermi-Hubbard Model

Strong electron correlations lie at the origin of transformative phenomena such as colossal magneto-resistance and high-temperature superconductivity. Already near room temperature, doped copper oxide materials display remarkable features such as a pseudo-gap and a "strange metal" phase with unusual transport properties. The essence of this physics is believed to be captured by the Fermi-Hubbard model of repulsively interacting, itinerant fermions on a lattice. Here we report on the site-resolved observation of charge and spin correlations in the two-dimensional (2D) Fermi-Hubbard model realized with ultracold atoms. Antiferromagnetic spin correlations are maximal at half-filling and weaken monotonically upon doping. Correlations between singly charged sites are negative at large doping, revealing the Pauli and correlation hole\textemdash a suppressed probability of finding two fermions near each other. However, as the doping is reduced below a critical value, correlations between such local magnetic moments become positive, signaling strong bunching of doublons and holes. Excellent agreement with numerical linked-cluster expansion (NLCE) and determinantal quantum Monte Carlo (DQMC) calculations is found. Positive non-local moment correlations directly imply potential energy fluctuations due to doublon-hole pairs, which should play an important role for transport in the Fermi-Hubbard model.

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Cooling Atomic Gases With Disorder

Cold atomic gases have proven capable of emulating a number of fundamental condensed matter phenomena including Bose-Einstein condensation, the Mott transition, Fulde-Ferrell-Larkin-Ovchinnikov pairing and the quantum Hall effect. Cooling to a low enough temperature to explore magnetism and exotic superconductivity in lattices of fermionic atoms remains a challenge. We propose a method to produce a low temperature gas by preparing it in a disordered potential and following a constant entropy trajectory to deliver the gas into a non-disordered state which exhibits these incompletely understood phases. We show, using quantum Monte Carlo simulations, that we can approach the Neél temperature of the three-dimensional Hubbard model for experimentally achievable parameters. Recent experimental estimates suggest the randomness required lies in a regime where atom transport and equilibration are still robust.

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Observation of antiferromagnetic correlations in the Hubbard model with ultracold atoms

Ultracold atoms in optical lattices have great potential to contribute to a better understanding of some of the most important issues in many-body physics, such as high-$T_c$ superconductivity. The Hubbard model describes many of the features shared by the copper oxides, including an interaction-driven Mott insulating state and an antiferromagnetic (AFM) state. Optical lattices filled with a two-spin-component Fermi gas of ultracold atoms can faithfully realise the Hubbard model with readily tunable parameters, and thus provide a platform for the systematic exploration of its phase diagram. Realisation of strongly correlated phases, however, has been hindered by the need to cool the atoms to temperatures as low as the magnetic exchange energy, and also by the lack of reliable thermometry. Here we demonstrate spin-sensitive Bragg scattering of light to measure AFM spin correlations in a realisation of the 3D Hubbard model at temperatures down to 1.4 times that of the AFM phase transition. This temperature regime is beyond the range of validity of a simple high-temperature series expansion, which brings our experiment close to the limit of the capabilities of current numerical techniques. We reach these low temperatures using a unique compensated optical lattice technique, in which the confinement of each lattice beam is compensated by a blue-detuned laser beam. The temperature of the atoms in the lattice is deduced by comparing the light scattering to determinantal quantum Monte Carlo and numerical linked-cluster expansion calculations. Further refinement of the compensated lattice may produce even lower temperatures which, along with light scattering thermometry, would open avenues for achieving and characterising other novel quantum states of matter, such as the pseudogap regime of the 2D Hubbard model.

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Compressibility of a fermionic Mott insulator of ultracold atoms

We characterize the Mott insulating regime of a repulsively interacting Fermi gas of ultracold atoms in a three-dimensional optical lattice. We use in-situ imaging to extract the central density of the gas, and to determine its local compressibility. For intermediate to strong interactions, we observe the emergence of a plateau in the density as a function of atom number, and a reduction of the compressibility at a density of one atom per site, indicating the formation of a Mott insulator. Comparisons to state-of-the-art numerical simulations of the Hubbard model over a wide range of interactions reveal that the temperature of the gas is of the order of, or below, the tunneling energy scale. Our results hold great promise for the exploration of many-body phenomena with ultracold atoms, where the local compressibility can be a useful tool to detect signatures of different phases or phase boundaries at specific values of the filling.

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Size and shape of Mott regions for fermionic atoms in a two-dimensional optical lattice

We investigate the harmonic-trap control of size and shape of Mott regions in the Fermi Hubbard model on a square optical lattice. The use of Lanczos diagonalization on clusters with twisted boundary conditions, followed by an average over 50-80 samples, drastically reduce finite-size effects in some ground state properties; calculations in the grand canonical ensemble together with a local-density approximation (LDA) allow us to simulate the radial density distribution. We have found that as the trap closes, the atomic cloud goes from a metallic state, to a Mott core, and to a Mott ring; the coverage of Mott atoms reaches a maximum at the core-ring transition. A `phase diagram' in terms of an effective density and the on-site repulsion is proposed, as a guide to maximize the Mott coverage. We also predict that the usual experimentally accessible quantities, the global compressibility and the average double occupancy (rather, its density derivative) display detectable signatures of the core-ring transition. Some spin correlation functions are also calculated, and predict the existence Néel ordering within Mott cores and rings.

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Finite-temperature properties of strongly correlated fermions in the honeycomb lattice

We study finite-temperature properties of strongly interacting fermions in the honeycomb lattice using numerical linked-cluster expansions and determinantal quantum Monte Carlo simulations. We analyze a number of thermodynamic quantities, including the entropy, the specific heat, uniform and staggered spin susceptibilities, short-range spin correlations, and the double occupancy at and away from half filling. We examine the viability of adiabatic cooling by increasing the interaction strength for homogeneous as well as for trapped systems. For the homogeneous case, this process is found to be more efficient at finite doping than at half filling. That, in turn, leads to an efficient adiabatic cooling in the presence of a trap which, starting with even relatively high entropies, can drive the system to have a Mott insulating phase with substantial antiferromagnetic correlations.

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Correlation driven Mott-insulator-to-metal transition

We study transport properties of the half-filled two-dimensional (2D) Hubbard model with spatially varying interactions, where a pattern of interacting and non-interacting sites is formed. We use Determinantal Quantum Monte Carlo method to calculate the double occupation, effective hopping and Drude weight. These data point to two phase transitions, driven by fermionic correlations. The first is the expected metal to a Mott insulating state. The second one, is an exotic transition from a Mott insulating state to a highly anisotropic metal, that takes place at large values of the fermion-fermion interaction. This second transition occurs when the layers formed by the spatially varying interactions decouple due to the suppression of the hopping between interacting and non-interacting sites, leading to fermionic transport along the non-interacting ones.

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Short-Range Correlations and Cooling of Ultracold Fermions in the Honeycomb Lattice

We use determinantal quantum Monte Carlo simulations and numerical linked-cluster expansions to study thermodynamic properties and short-range spin correlations of fermions in the honeycomb lattice. We find that, at half filling and finite temperatures, nearest-neighbor spin correlations can be stronger in this lattice than in the square lattice, even in regimes where the ground state in the former is a semimetal or a spin liquid. The honeycomb lattice also exhibits a more pronounced anomalous region in the double occupancy that leads to stronger adiabatic cooling than in the square lattice. We discuss the implications of these findings for optical lattice experiments.

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Finite-size effects in transport data from Quantum Monte Carlo simulations

We have examined the behavior of the compressibility, the dc-conductivity, the single-particle gap, and the Drude weight as probes of the density-driven metal-insulator transition in the Hubbard model on a square lattice. These quantities have been obtained through determinantal quantum Monte Carlo simulations at finite temperatures on lattices up to 16 X 16 sites. While the compressibility, the dc-conductivity, and the gap are known to suffer from `closed-shell' effects due to the presence of artificial gaps in the spectrum (caused by the finiteness of the lattices), we have established that the former tracks the average sign of the fermionic determinant ( ), and that a shortcut often used to calculate the conductivity may neglect important corrections. Our systematic analyses also show that, by contrast, the Drude weight is not too sensitive to finite-size effects, being much more reliable as a probe to the insulating state. We have also investigated the influence of the discrete imaginary-time interval (Δτ) on , on the average density (ρ), and on the double occupancy (d): we have found that and ρare more strongly dependent on Δτaway from closed-shell configurations, but d follows the Δτ^2 dependence in both closed- and open-shell cases.

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Fermions in 3D Optical Lattices: Cooling Protocol to Obtain Antiferromagnetism

A major challenge in realizing antiferromagnetic (AF) and superfluid phases in optical lattices is the ability to cool fermions. We determine the equation of state for the 3D repulsive Fermi-Hubbard model as a function of the chemical potential, temperature and repulsion using unbiased determinantal quantum Monte Carlo methods, and we then use the local density approximation to model a harmonic trap. We show that increasing repulsion leads to cooling, but only in a trap, due to the redistribution of entropy from the center to the metallic wings. Thus, even when the average entropy per particle is larger than that required for antiferromagnetism in the homogeneous system, the trap enables the formation of an AF Mott phase.

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Fermions in 2D Optical Lattices: Temperature and Entropy Scales for Observing Antiferromagnetism and Superfluidity

One of the major challenges in realizing antiferromagnetic and superfluid phases in optical lattices is the ability to cool fermions. We determine constraints on the entropy for observing these phases in two-dimensional Hubbard models. We investigate antiferromagnetic correlations in the repulsive model at half filling and superfluidity of s-wave pairs in the attractive case away from half filling using determinantal quantum Monte Carlo simulations that are free of the fermion sign problem. We find that an entropy per particle ~log(2) is sufficient to observe the charge gap in the repulsive Hubbard model or the pairing pseudogap in the attractive case. Observing antiferromagnetic correlations or superfluidity in 2D systems requires a further reduction in entropy by a factor of three or more. In contrast to higher dimensions, we find that adiabatic cooling is not useful to achieve the required low temperatures. We also show that double occupancy measurements are useful for thermometry for temperatures greater than the nearest-neighbor hopping.

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Model for spin coupling disorder effects on the susceptibility of antiferromagnetic nanochains

The temperature dependence of the static magnetic susceptibility of exchange-disordered antiferromagnetic Heisenberg spin-1/2 finite chains with an odd number of spins is investigated as a function of size and type of disorder in the exchange coupling. Two models for the exchange disorder distribution are considered. At sufficiently low temperatures each chain behaves like an isolated spin-1/2 particle. As the size of the chains increases, this analogy is lost and the chains evolve into the thermodynamic limit behavior. The present study provides a simple criterion, based on susceptibility measurements, to establish when odd-sized chains effectively simulate a single spin-1/2 particle.

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