arXiv subjects

Raimundo R. dos Santos

Publications and source records attributed to Raimundo R. dos Santos.

At least 19 recordsLinked to original sources

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

Multifractal critical phase driven by coupling quasiperiodic systems to electromagnetic cavities

We theoretically investigate criticality and multifractal states in a one-dimensional Aubry-Andre-Harper model coupled to electromagnetic cavities. We focus on two specific cases where the phonon frequencies are $ω_{0}=1$ and $ω_{0}=2$, respectively. Phase transitions are analyzed using both the average and minimum inverse participation ratio to identify metallic, fractal, and insulating states. We provide numerical evidence to show that the presence of the optical cavity induces a critical, intermediate phase in between the extended and localized phases, hence drastically modifying the traditional transport phase diagram of the Aubry-Andre-Harper model, in which critical states can only exist at the well-defined metal-insulator critical point. We also investigate the probability distribution of the inverse participation ratio and conduct a multifractal analysis to characterize the nature of the critical phase, in which we show that extended, localized, and fractal eigenstates coexist. Altogether, our findings reveal the pivotal role that the coupling to electromagnetic cavities plays in tailoring critical transport phenomena at the microscopic level of the eigenstates.

cond-mat.dis-nn↗

arXiv2025

Finite temperatures and flat bands: the Hubbard model on three-dimensional Lieb lattices

We investigate some thermodynamic and magnetic properties of the Hubbard model on two three-dimensional extensions of the Lieb lattice: the perovskite Lieb lattice (PLL) and the layered Lieb lattice (LLL). Using determinant quantum Monte Carlo (DQMC) simulations alongside Hartree-Fock and cluster mean-field theory (CMFT) approaches, we analyze how flat-band degeneracy, connectivity, and lattice anisotropy influence the emergence of magnetic order. Our results show that both geometries support finite-temperature magnetic transitions, namely ferromagnetic (FM) on the PLL, and antiferromagnetic (AFM) on the LLL. Further, we have established that the critical temperature, $T_c$, as a function of the uniform on-site coupling, $U$, displays a maximum, which is smaller in the AFM case than in the FM one, despite the absence of flat bands in the LLL. We also provide numerical evidence to show that flat bands in the PLL rapidly generate magnetic moments, but a small interorbital coordination suppresses the increase of $T_c$ at large interaction strength $U/t$. By contrast, the LLL benefits from higher connectivity, favoring magnetic order even in the absence of flat bands. The possibilities of anisotropic interlayer hoppings and inhomogeneous on-site interactions were separateley explored. We have found that magnetism in the PLL is hardly affected by hopping anisotropy, since the main driving mechanism is the preserved flat band; for the LLL, by contrast, spectral weight is removed from $d$-sites, which increases $T_c$ more significantly. At mean-field level, we have obtained that setting $U=0$ on $p$ sites and $U=U_d\neq0$ on $d$ sites leads to a quantum critical point at some $U_d$; this behavior was not confirmed by our DQMC simulations.

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

The extended Hubbard model on a honeycomb lattice

The lack of both nesting and a van Hove singularity at half filling, together with the presence of Dirac cones makes the honeycomb lattice a special laboratory to explore strongly correlated phenomena. For instance, at zero temperature the repulsive [attractive] Hubbard model only undergoes a transition to an antiferromagnetic [$s$-wave superconducting degenerate with charge density wave (SC-CDW)] for sufficiently strong on-site coupling, $U/t\gtrsim 3.85$ [$U/t\lesssim -3.85$]; in between these, the system is a semi-metal, by virtue of the Dirac cones. The addition of an additional interaction, $V>0$ or $V<0$, between fermions in nearest neighbor orbitals should break the SC-CDW degeneracy giving rise to a phase diagram quite distinct from the one for the square lattice. Here we perform determinant quantum Monte Carlo simulations to investigate the whole phase diagram, covering the four combinations of signs of $U$ and $V$; the use of complex Hubbard-Stratonovich fields renders the region $|V|\leq |U|/3$ free from the `minus sign problem'. We calculate structure factors associated with different orderings, which, together with the double occupancy and the average sign allows us to map out the whole phase diagram. We have found that the SM phase forms a zone from which ordered phases are excluded, preventing the stabilization of a $d$-wave SC phase, i.e., only $s$-wave pairing is allowed.

cond-mat.str-el↗

arXiv2024

Quantum percolation on Lieb Lattices

We theoretically investigate the quantum percolation problem on Lieb lattices in two and three dimensions. We study the statistics of the energy levels through random matrix theory, and determine the level spacing distributions, which, with the aid of finite-size scaling theory, allows us to obtain accurate estimates for site- and bond percolation thresholds and critical exponents. Our numerical investigation supports a localized-delocalized transition at finite threshold, which decreases as the average coordination number increases. The precise determination of the localization length exponent enables us to claim that quantum site- and bond-percolation problems on Lieb lattices belong to the same universality class, with $ν$ decreasing with lattice dimensionality, $d$, similarly to the classical percolation problem. In addition, we verify that, in three dimensions, quantum percolation on Lieb lattices belongs to the same universality class as the Anderson impurity model.

cond-mat.stat-mech↗

arXiv2024

The half-filled extended Hubbard model on a square lattice: Phase boundaries from determinant quantum Monte Carlo simulations

The extended Hubbard model (EHM) describes fermions on a lattice coupled through on-site, $U$, and first-neighbor, $V$, interactions. In the context of high-$T_c$ cuprates, antiferromagnetic fluctuations may lead to an attractive channel, hence to superconductivity. Despite interest in the two-dimensional version of the model, the current knowledge about the phase diagram is still far from complete. Here, we report on the results of extensive determinant quantum Monte Carlo simulations for this model at half filling, in which we have used the average sign of the product of fermionic determinants as an additional observable to locate critical points. We arrive at a ground state phase diagram in the $U$-$V$ plane in which the boundaries involving antiferromagnetic, charge-ordered, $s$- and $d$-wave superconductivity, and phase-separated phases are quantitatively set with good accuracy. We have also proposed a partial phase diagram, $T_c(U,V)$, featuring critical temperatures for the CDW and $s$-wave superconducting phases.

cond-mat.str-el↗

arXiv2023

Four interacting spins: addition of angular momenta, spin-spin correlation functions, and entanglement

We study four spins on a ring coupled through competing Heisenberg interactions between nearest neighbors, $J$, and next-nearest neighbors, $J_2\equivαJ>0$. The spectrum is obtained in a simple way by using the rules for addition of 4 angular momenta. This allows us to follow the evolution of the ground state with $α$, characterized by level crossings and by analyses of spin-spin correlation functions. Further insight is obtained by examining the entanglement between different parts of the system: we observe that the entanglement entropy is strongly dependent on how the system is partitioned.

quant-ph↗

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↗

arXiv2022

Magnetic impurities in a charge-ordered background

We investigate how magnetic impurities may affect a system exhibiting charge-density wave (CDW) in its ground state. We consider a disordered Hubbard-Holstein model with a homogeneous electron-phonon interaction, but with a (randomly chosen) fraction of sites displaying a non-zero Coulomb repulsion, $U$, and perform state-of-the-art finite-temperature quantum Monte Carlo simulations. For a single magnetic impurity, charge-charge correlations hamper the spin-spin ones around the repulsive site, thus requiring a strong enough value of $U$ to create non-negligible antiferromagnetic (AFM) correlations. As the number of magnetic impurities increases, these AFM correlations become deleterious to CDW order and its features. First, the critical temperature is drastically reduced, and seems to vanish around 40$\%$ of impurities (for fixed $U/λ=2$), which we correlate with the classical percolation threshold. We also notice that just a small amount of disorder suffices to create a \textit{bad insulating} state, with the suppression of both Peierls and spin gaps, even within the charge-ordered phase. Finally, we have also found that pairing correlations are enhanced at large doping, driven by the competition between CDW and AFM tendencies.

cond-mat.str-el↗

arXiv2022

Magnetism and metal-insulator transitions in the Rashba-Hubbard model

The nature of metal-insulator and magnetic transitions is still a subject under intense debate in condensed matter physics. Amongst the many possible mechanisms, the interplay between electronic correlations and spin-orbit couplings is an issue of a great deal of interest, in particular when dealing with quasi-2D compounds. In view of this, here we use a Hartree-Fock approach to investigate how the Rashba spin-orbit coupling, $V_\text{SO}$, affects the magnetic ordering provided by a Hubbard interaction, $U$, on a square lattice. At half-filling, we have found a sequence of transitions for increasing $V_\text{SO}$: from a Mott insulator to a metallic antiferromagnet, and then to a paramagnetic Rashba metal. Also, our results indicate that the Rashba coupling favors magnetic striped phases in the doped regime. By analyzing spectral properties, we associate the rearrangement of the magnetic ordering with the emerging chirality created by the spin-orbit coupling. Our findings provide insights towards clarifying the competition between these tendencies.

cond-mat.str-el↗

arXiv2022

Unsupervised machine learning approaches to the $q$-state Potts model

In this paper with study phase transitions of the $q$-state Potts model, through a number of unsupervised machine learning techniques, namely Principal Component Analysis (PCA), $k$-means clustering, Uniform Manifold Approximation and Projection (UMAP), and Topological Data Analysis (TDA). Even though in all cases we are able to retrieve the correct critical temperatures $T_c(q)$, for $q = 3, 4$ and $5$, results show that non-linear methods as UMAP and TDA are less dependent on finite size effects, while still being able to distinguish between first and second order phase transitions. This study may be considered as a benchmark for the use of different unsupervised machine learning algorithms in the investigation of phase transitions.

cond-mat.stat-mech↗

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

Superconducting Kondo phase in an orbitally-separated bilayer

The nature of superconductivity in heavy-fermion materials is a subject under intense debate, and controlling this many-body state is central for its eventual understanding. Here, we examine how proximity effects may change this phenomenon, by investigating the effects of an additional metallic layer on the top of a Kondo-lattice, and allowing for pairing in the former. We analyze a bilayer Kondo Lattice Model with an on-site Hubbard interaction, $-U$, on the additional layer, using a mean-field approach. For $U=0$, we notice a drastic change in the density-of-states due to multiple-orbital singlet resonating combinations. It destroys the well-known Kondo insulator at half filling, leading to a metallic ground state, which, in turn, enhances antiferromagnetism through the polarization of the conduction electrons. For $U\neq 0$, a superconducting Kondo state sets in at zero temperature, with the occurrence of unconventional pairing amplitudes involving $f$-electrons. We establish that this remarkable feature is only possible due to the proximity effects of the additional layer. At finite temperatures we find that the critical superconducting temperature, $T_c$, decreases with the interlayer hybridization. We have also established that a zero temperature superconducting amplitude tracks $T_c$, which reminisces the BCS proportionality between the superconducting gap and $T_c$.

cond-mat.str-el↗

arXiv2019

Determinant Quantum Monte Carlo Study of Exhaustion in the Periodic Anderson Model

The Kondo and Periodic Anderson models describe many of the qualitative features of local moments coupled to a conduction band, and thereby the physics of materials such as the heavy fermions. In particular, when the exchange coupling $J$ or hybridization $V$ between the moments and the electrons of the metallic band is large, singlets form, quenching the magnetism. In the opposite, small $J$ or $V$, limit, the moments survive, and the conduction electrons mediate an effective interaction which can trigger long range, often antiferromagnetic, order. In the case of the Kondo model, where the moments are described by local spins, Nozières considered the possibility that the available conduction electrons within the Kondo temperature of the Fermi surface would be insufficient in number to accomplish the screening. Much effort in the literature has been devoted to the study of the temperature scales in the resulting `exhaustion' problem, and how the `coherence temperature' where a heavy Fermi liquid forms is related to the Kondo temperature. In this paper, we study a version of the Periodic Anderson model in which some of the conduction electrons are removed in a way which avoids the fermion sign problem and hence allows low temperature Quantum Monte Carlo simulations which can access both singlet formation and magnetic ordering temperature scales. We are then able to focus on a somewhat different aspect of exhaustion physics than previously considered: the effect of dilution on the critical $V$ for the singlet-antiferromagnetic transition.

cond-mat.str-el↗

arXiv2019

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.

cond-mat.str-el↗

arXiv2016

Spiral magnetic phases on the Kondo Lattice Model: A Hartree-Fock approach

We study the Kondo Lattice Model (KLM) on a square lattice through a Hartree-Fock approximation in which the local spins are treated semi-classically, in the sense that their average values are modulated by a magnetic wavevector $\mathbf{Q}$ while they couple with the conduction electrons through fermion operators. In this way, we obtain a ground state phase diagram in which spiral magnetic phases (in which the wavevector depends on the coupling constants and on the density) interpolate between the low-density ferromagnetic phase and the antiferromagnetic phase at half filling; within small regions of the phase diagram commensurate magnetic phases can coexist with Kondo screening. We have also obtained `Doniach-like' diagrams, showing the effect of temperature on the ground state phases, and established that for some ranges of the model parameters (the exchange coupling and conduction electron density) the magnetic wavevector changes with temperature, either continuously or abruptly (e.g., from spiral to ferromagnetic).

cond-mat.str-el↗

arXiv2016

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.

cond-mat.str-el↗