arXiv subjects

Thereza Paiva

Publications and source records attributed to Thereza Paiva.

At least 19 recordsLinked to original sources

arXiv2026

The thermopower properties of interacting systems

The Seebeck coefficient quantifies the voltage generated across a material in response to a temperature gradient. Recent studies have shown that strong electronic correlations can enhance this coefficient, producing anomalous behavior near half-filling associated with the Mott plateau. This raises the possibility that other interaction scales, not necessarily originating in Mott physics, could give rise to similar enhancements. Here, we investigate the Seebeck coefficient in the presence of attractive interactions, nearest-neighbor interactions, sublattice potentials, and electron-phonon coupling. The Seebeck coefficient is obtained via the Kelvin formula, using entropy data derived from density calculations within determinant quantum Monte Carlo (DQMC). We find that these additional interaction scales can indeed enhance the Seebeck coefficient and further induce multiple sign changes as a function of doping. We show that this anomalous behavior is associated with the opening of a gap in the ground state, as computed via cluster perturbation theory (CPT). Moreover, electron-phonon coupling alone-even in the absence of on-site repulsion-can produce a Seebeck anomaly. We relate these sign changes to a restructuring of the Fermi surface and an accompanying change in its topology, an effect commonly observed in cuprates.

cond-mat.str-el↗

arXiv2026

Multiple Topological Haldane Phases for Symmetry-Protected Quantum Information Processing

Symmetry-protected topological phases have attracted significant interest at the fundamental level and as a potential platform for quantum information processing, owing to their protected edge states and resilience to perturbations. Applying these features for practical and efficient quantum computation is highly desirable, but remains an open challenge. Here, we demonstrate the partitioning into multiple independent Haldane phase subsystems of a single spin-1/2 ladder system and propose this as a scalable architecture for gate-based quantum computation, which takes advantage of the symmetry-protected topological order. We encode qubits in the two topological states of the $S^{z}=0$ sector of each subsystem. Finite-size effects, typically viewed as detrimental, instead provide a controllable energy splitting that enables single-qubit rotations using only local magnetic fields. An Ising-type interaction between neighboring subsystem edges generates entangling gates, enabling universal quantum computation driven by two control parameters that are easily accessible experimentally. Our results demonstrate how symmetry-protected topological phases can be directly harnessed for circuit-model quantum computation in realistic systems.

quant-ph↗

arXiv2026

Specific heat and density anomaly in the Hubbard model

Understanding thermal properties of materials is fundamental to technological applications and to discovering new phenomena. In particular, advances in experimental techniques such as cold-atom measurements allow the simulation of paradigmatic Hamiltonians with great control over model parameters, such as the Hubbard model. One aspect of this model which is not much explored is the behavior of the specific heat as a function of density. In this work, we perform Determinant Quantum Monte Carlo simulations of the Hubbard model interpolating between the square and triangular lattices to analyze the specific heat as the filling, interaction, and temperature of the system are changed. We found that, with strong correlations, the specific heat presents a three-maxima structure as a function of filling, with local minima between them. This effect can be explained by a decomposition of kinetic and potential contributions to the specific heat, demonstrating interesting phenomena away from the commonly studied half-filling regime. Moreover, by analyzing the kinetic contribution in momentum space we show that, connected to this specific heat behavior, there is a density anomaly detected through the thermal expansion coefficient. These momentum-space quantities are accessible using cold-atom experiments measurements at multiple temperatures. Finally, we map the location of these phenomena and connect the thermal expansion anomaly with the well-known Seebeck coefficient change of sign. Our results provide a new perspective to analyze this change of sign.

cond-mat.str-el↗

arXiv2026

Effects of next-nearest neighbor hopping on the pairing and critical temperatures of the attractive Hubbard model on a square lattice

The attractive Hubbard model plays a paradigmatic role in the study of superconductivity (superfluidity) and has become directly realizable in ultracold atom experiments on optical lattices. However, the critical temperatures, $T_c$'s, remain lower than the lowest temperatures currently achievable in experiments. Here, we explore a possible route to enhance $T_c$ by introducing an additional next-nearest-neighbor (NNN) hopping, $t^\prime$, in a two-dimensional square lattice. We perform sign-problem-free determinant quantum Monte Carlo simulations to compute response functions such as pairing correlation functions, superfluid density, and uniform spin susceptibility. Our results show that a judicious choice of $t^\prime$ can increase $Tc$ by up to $50\%$ compared to the case with only nearest-neighbor hopping. In contrast, the preformed pairs temperature scale, named pairing temperature, $T_p$, decreases with increasing $|t^{\prime}/t|$, which should represent a reduction of the pseudogap region, favoring a more BCS-like behavior at intermediate coupling. We further analyze the interacting density of states to characterize the transition from a pseudogap regime to a fully gapped superconducting state. These findings suggest that NNN hopping could be a viable route to increase $T_c$ to values closer to experimentally accessible temperature scales.

cond-mat.supr-con↗

arXiv2025

Women in Theoretical Quantum Physics in Brazil:demographics, career profiles, recognition, and leadership

Gender imbalance in Physics remains a persistent global challenge, and Brazil is no exception. While women account for only 24% of Physics faculty in the country, their representation in Quantum Physics is even smaller. In this work, we provide the first comprehensive overview of women working in Theoretical Quantum Physics in Brazil, here referred to as the SheQ (She + Quantum) community. Using data from the CNPq Lattes platform, we identify 93 researchers and analyze their geographic distribution, academic trajectories, scientific productivity, international experience, recognition through awards and fellowships, and engagement with initiatives promoting gender equity. Our results reveal both progress and persistent disparities: SheQ researchers have a strong scientific output, leadership roles, and international training; yet, their recognition through productivity fellowships remains modest, and their involvement in gender-related initiatives, although increasing among younger generations, remains limited. By combining quantitative indicators with institutional perspectives, we highlight structural barriers as well as opportunities for fostering a more inclusive environment in Quantum Physics. his study thus contributes to a broader reflection on how diversity not only promotes fairness but also strengthens creativity, innovation, and scientific progress.

physics.soc-ph↗

arXiv2025

Thermodynamic, magnetic and transport properties of the repulsive Hubbard model on the kagome lattice

Over the past decades, magnetic frustration has been under intense debate due to its unusual properties. For instance, frustration in the kagome lattice suppresses long range spin correlations and it is expected to be a candidate for a spin liquid system. Therefore, with the advent of experiments with ultra-cold atoms, the interest for frustrated geometries has increased. Given this, in the present work we investigate the repulsive Hubbard model on the kagome lattice by unbiased quantum Monte Carlo simulations. We examine its thermodynamic properties, as well as the magnetic and transport response of the system at finite temperatures and different values of the repulsive interaction. From these results, we discuss the possible occurrence of adiabatic cooling, a quite important feature in ultra-cold systems, and the presence of a metal-to-insulator transition at a finite interaction strength. Our findings may guide future experiments in ultra-cold fermionic atoms on the kagome lattice.

cond-mat.str-el↗

arXiv2025

Electronic interactions in a vacancy-engineered honeycomb lattice: Transition from a nodal-line semimetal to a magnetic insulator

Nodal-line semimetals (NLSMs) harbor a variety of novel physical properties owing to the particularities of the band degeneracies that characterize the spectrum of these materials. In symmetry-enforced NLSMs, band degeneracies, being imposed by symmetries, are robust to arbitrarily strong perturbations that preserve the symmetries. We investigate the effects of electron-electron interactions on a recently proposed vacancy-engineered NLSM known as holey graphene. Using mean-field calculations and quantum Monte Carlo simulation, we show that the Hubbard model on the depleted holey-graphene lattice at half-filling exhibits a transition from a NLSM to an insulating antiferromagnetic phase for an arbitrarily weak repulsive interaction $U$. In contrast to the semi-metal-insulator transition in the pristine honeycomb lattice, which occurs at a finite critical value of $U$, in the depleted lattice, the transition at $U=0$ is associated with a van Hove singularity arising from the crossing of accidental nodal lines and those enforced by symmetry. We also employ linear spin wave theory (LSWT) to the effective Heisenberg model in the strong-coupling limit and obtain the global antiferromagnetic order parameter $m_{\rm AFM} \approx 0.146$. The order parameters from both QMC and LSWT agree quantitatively. Our findings indicate that vacancy engineering offers an effective way to tailor the magnetic properties of quantum materials.

cond-mat.str-el↗

arXiv2025

Single-site entanglement as a marker for quantum phase transitions at non-zero temperatures

Entanglement has been widely investigated in condensed matter systems since they are considered good candidates for developing quantum technologies. Additionally, entanglement is a powerful tool to explore quantum phase transitions in strongly correlated systems, with the von Neumann entropy being considered a proper measure of quantum entanglement for pure bipartite systems. For lattice systems, in particular, the single-site entanglement quantifies how much information about the quantum state of the remaining sites can be obtained by a measurement at a single site. Here, we use Quantum Monte Carlo calculations to obtain the average single-site entanglement for the two-dimensional Hubbard model in different geometries, probing the effects of varying temperature and interaction strength. We find that the average single-site entanglement signals the quantum phase transitions in such systems, allowing us to identify and characterize signatures of quantum phase transitions even at finite temperatures. We also analyze the relation between entanglement and magnetic susceptibility: in all the geometries considered, we find regimes in which the quantities are linearly connected. Our findings could then guide experiments to estimate entanglement via the susceptibility.

cond-mat.str-el↗

arXiv2025

Topological Phase Transition in the Two-Leg Hubbard Model: Emergence of the Haldane Phase via Diagonal Hopping and Strong Interactions

We investigate the two-leg Hubbard model with diagonal hopping to explore the interplay between geometrical frustration and strong electron-electron interactions. Using the Density Matrix Renormalization Group (DMRG) method, we demonstrate the emergence of a topological Haldane phase, which results explicitly from the complementary effects of diagonal hopping-induced frustration and strong on-site Coulomb repulsion. The topological phase transition from a trivial insulator to the nontrivial Haldane phase is characterized by significant changes in magnetic properties, edge correlations, and the appearance of a nonzero string order parameter. Furthermore, we confirm the topological nature of this phase through a detailed analysis of the spin gap and entanglement spectrum, demonstrating clear signatures of symmetry-protected topological order.

cond-mat.str-el↗

arXiv2024

Increasing superconducting $T_c$ by layering in the attractive Hubbard model

The attractive Hubbard model has become a model readily realizable with ultracold atoms on optical lattices. However, the superconducting (superfluid) critical temperatures, $T_c$'s, are still somewhat smaller than the lowest temperatures achieved in experiments. Here we consider two possible routes, generically called layering, to increase $T_c$: a bilayer and a simple cubic lattice, both with tunable hopping, $t_z$, between attractive Hubbard planes. We have performed minus-sign--free determinant quantum Monte Carlo simulations to calculate response functions such as pairing correlation functions, uniform spin susceptibility, and double occupancy, through which we map out some physical properties. We have found that by a judicious choice of fillings and intensity of on-site attraction, a bilayer can exhibit $T_c$'s between 1.5 and 1.7 times those of the single layer; for the simple-cubic lattice the enhancement can be 30\% larger than the maximum for the single layer. We also check the accuracy of both a BCS-like estimate for $T_c$ in the attractive Hubbard model, as well as of an upper bound for $T_c$ based on the superfluid density.

cond-mat.quant-gas↗

arXiv2024

Signatures of metal to insulator crossover in the repulsive Fermi Hubbard model through static correlations

Cold atom systems provide a rich platform to realize strongly interacting condensed matter systems, and recent progress in fluorescence imaging technique has enabled identification of nontrivial doublon, singlon, and holon correlation functions. We show that these correlators can be used to identify the conditions under which local moments form in an interacting electronic system. Toward this end, we report a Determinantal Quantum Monte Carlo (DQMC) study of such correlation functions in the two-dimensional repulsive Fermi Hubbard model on a square lattice as a function of doping, interaction strength and temperature. We find definite signatures of the crossover from small U(band regime) to large U(correlated insulator regime). Our key findings are: (1) An opening of a charge gap in the thermodynamic density of states is accompanied by the appearance of temperature insensitive points in the equation of state at finite doping, which can be used to distinguish the band regime in cold atom experiments. (2) Nearest neighbor doublon holon correlations track the opening of charge gap; these compete with density correlations to generate moment moment correlations that show different behavior in the metallic and correlated insulator regime. (3) Non local correlation functions can be used to distinguish between the two regimes, both at and away from half filling. Our results allow comparisons of different correlation functions with recent experimental findings and guide further experimental investigations.

cond-mat.str-el↗

arXiv2023

Autoencoder-based analytic continuation method for strongly correlated quantum systems

The single particle Green's function provides valuable information on the momentum and energy-resolved spectral properties for a strongly correlated system. In large-scale numerical calculations using quantum Monte Carlo (QMC), dynamical mean field theory (DMFT), including cluster-DMFT, one usually obtains the Green's function in imaginary-time $G(τ)$. The process of inverting a Laplace transform to obtain the spectral function $A(ω)$ in real-frequency is an ill-posed problem and forms the core of the analytic continuation problem. In this Letter, we propose to use a completely unsupervised autoencoder-type neural network to solve the analytic continuation problem. We introduce an encoder-decoder approach that, together with only minor physical assumptions, can extract a high-quality frequency response from the imaginary time domain. With a deeply tunable architecture, this method can, in principle, locate sharp features of spectral functions that might normally be lost using already well-established methods, such as maximum entropy (MaxEnt) methods. We demonstrate the strength of the autoencoder approach by applying it to QMC results of $G(τ)$ for a single-band Hubbard model. The proposed method is general and can also be applied to other ill-posed inverse problems.

cond-mat.str-el↗

arXiv2023

Topological marker approach to an interacting Su-Schrieffer-Heeger model

The topological properties of the Su-Schrieffer-Heeger (SSH) model in the presence of nearest-neighbor interaction are investigated by means of a topological marker, generalized from a noninteracting one by utilizing the single-particle Green's function of the many-body ground state. We find that despite the marker not being perfectly quantized in the presence of interactions, it always remains finite in the topologically nontrivial phase while converging to zero in the trivial phase when approaching the thermodynamic limit, and hence correctly judges the topological phases in the presence of interactions. The marker also correctly captures the interaction-driven, second-order phase transitions between a topological phase and a Landau-ordered phase, which is a charge density wave order in our model with a local order parameter, as confirmed by the calculation of entanglement entropy and the many-body Zak phase. Our work thus points to the possibility of generalizing topological markers to interacting systems through Green's function, which may be feasible for topological insulators in any dimension and symmetry class.

cond-mat.str-el↗

arXiv2023

Magnetism and metal-insulator transitions in the anisotropic kagome lattice

The interest in the physical properties of kagome lattices has risen considerably. In addition to the synthesis of new materials, the possibility of realizing ultracold atoms on an optical kagome lattice (KL) raises interesting issues. For instance, by considering the Hubbard model on an anisotropic KL, with a hopping $t^\prime$ along one of the directions, one is able to interpolate between the Lieb lattice ($t^\prime=0$) and the isotropic KL ($t^\prime=t$). The ground state of the former is a ferrimagnetic insulator for any on-site repulsion, $U$, while the latter displays a transition between a paramagnetic metal and a Mott insulator. One may thus consider $t^\prime$ as a parameter controlling the degree of magnetic frustration in the system. By means of extensive quantum Monte Carlo simulations, we have examined magnetic and transport properties as $t^\prime$ varies between these limits in order to set up a phase diagram in the $(U/t, t^\prime/t)$ parameter space. As an auxiliary response, analysis of the average sign of the fermionic determinant provides consistent predictions for critical points in the phase diagram. We observe a metal-insulator transition occurring at some critical point $U_c^\text{M}(t^\prime)$, which increases monotonically with $ t^\prime $, from the unfrustrated lattice limit. In addition, we have found that the boundary between the ferrimagnetic insulator and the Mott insulator rises sharply with $t^\prime$.

cond-mat.str-el↗

arXiv2023

Effects of lattice geometry on thermopower properties of the repulsive Hubbard model

We obtain the Seebeck coefficient or thermopower $S$, which determines the conversion efficiency from thermal to electrical energy, for the two-dimensional Hubbard model on different geometries (square, triangular, and honeycomb lattices) for different electronic densities and interaction strengths. Using Determinantal Quantum Monte Carlo (DQMC) we find the following key results: (a) the bi-partiteness of the lattice affects the doping dependence of $S$; (b) strong electronic correlations can greatly enhance $S$ and produce non-trivial sign changes as a function of doping especially in the vicinity of the Mott insulating phase; (c) $S(T)$ near half filling can show non-monotonic behavior as a function of temperature. We emphasize the role of strong interaction effects in engineering better devices for energy storage and applications, as captured by our calculations of the power factor $PF=S^2 σ$ where $σ$ is the dc conductivity.

cond-mat.str-el↗

arXiv2023

Magnetic and singlet phases in the three-dimensional periodic Anderson Model

Heavy fermion materials are compounds in which localized $f$-orbitals hybridize with delocalized $d$ ones, leading to quasiparticles with large renormalized masses. The presence of strongly correlated $f$-electrons at the Fermi level may also lead to long-range order, such as magnetism, or unconventional superconductivity. From a theoretical point of view, the ``standard model'' for heavy fermion compounds is the Periodic Anderson Model (PAM). Despite being extensively scrutinized, its thermodynamic properties in three-dimensional lattices have not been carefully addressed by unbiased methodologies. Here we investigate the 3D PAM employing state-of-the-art finite temperature auxiliary field quantum Monte Carlo simulations. We present the behavior of the kinetic energy, the entropy, the specific heat, and the double occupancy as functions of the temperature and the hybridization strength. From these quantities, and by the analysis of the spin-spin correlation functions, we investigate the occurrence of magnetic phase transitions at finite temperatures, and determine the phase diagram of the model, including the behavior of the Néel temperature as a function of the external parameters.

cond-mat.str-el↗

arXiv2022

The 2D attractive Hubbard model and the BCS-BEC crossover

Recent experiments with ultracold fermionic atoms in optical lattices have provided a tuneable and clean realization of the attractive Hubbard model (AHM). In view of this, several physical properties may be thoroughly studied across the crossover between weak (Bardeen-Cooper-Schrieffer, BCS) and strong (Bose-Einstein condensation, BEC) couplings. Here we report on extensive determinant Quantum Monte Carlo (DQMC) studies of the AHM on a square lattice, from which several different quantities have been calculated and should be useful as a roadmap to experiments. We have obtained a detailed phase diagram for the critical superconducting temperature, $T_c$, in terms of the band filling, $\ave{n}$, and interaction strength, $U$, from which we pinpoint a somewhat wide region $|U|/t \approx 5 \pm 1$ ($t$ is the hopping amplitude) and $\ave{n} \approx 0.79 \pm 0.09$ leading to a maximum $T_c \approx 0.16 t$. Two additional temperature scales, namely pairing, $T_p$, and degeneracy, $T_d$, have been highlighted: the former sets the scale for pair formation (believed to be closely related to the scale for the gap of spin excitations in cuprates), while the latter sets the scale for dominant quantum effects. Our DQMC data for the distribution of doubly occupied sites, for the momentum distribution function, and for the quasiparticle weight show distinctive features on both sides of the BCS-BEC crossover, being also suggestive of an underlying crossover between Fermi- and non-Fermi liquid behaviors.

cond-mat.str-el↗

arXiv2020

Thermodynamics and magnetism in the 2D-3D crossover of the Hubbard model

The realization of antiferromagnetic (AF) correlations in ultracold fermionic atoms on an optical lattice is a significant achievement. Experiments have been carried out in one, two, and three dimensions, and have also studied anisotropic configurations with stronger tunneling in some lattice directions. Such anisotropy is relevant to the physics of cuprate superconductors and other strongly correlated materials. Moreover, this anisotropy might be harnessed to enhance AF order. Here we numerically investigate, using Determinant Quantum Monte Carlo, a simple realization of anisotropy in the 3D Hubbard model in which the tunneling between planes, $t_\perp$, is unequal to the intraplane tunneling $t$. This model interpolates between the three-dimensional isotropic ($t_\perp = t$) and two-dimensional ($t_\perp =0$) systems. We show that at fixed interaction strength to tunneling ratio ($U/t$), anisotropy can enhance the magnetic structure factor relative to both 2D and 3D results. However, this enhancement occurs at interaction strengths below those for which the Néel temperature $T_{\rm N\acute{e}el}$ is largest, in such a way that the structure factor cannot be made to exceed its value in isotropic 3D systems at the optimal $U/t$. We characterize the 2D-3D crossover in terms of the magnetic structure factor, real space spin correlations, number of doubly-occupied sites, and thermodynamic observables. An interesting implication of our results stems from the entropy's dependence on anisotropy. As the system evolves from 3D to 2D, the entropy at a fixed temperature increases. Correspondingly, at fixed entropy, the temperature will decrease going from 3D to 2D. This suggests a cooling protocol in which the dimensionality is adiabatically changed from 3D to 2D.

cond-mat.quant-gas↗