arXiv subjects

Natanael C. Costa

Publications and source records attributed to Natanael C. Costa.

At least 37 records · Page 2Linked to original sources

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

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

Effect of Emitters on Quantum State Transfer in Coupled Cavity Arrays

Over the last decade, conditions for perfect state transfer in quantum spin chains have been discovered, and their experimental realizations addressed. In this paper, we consider an extension of such studies to quantum state transfer in a coupled cavity array including the effects of atoms in the cavities which can absorb and emit photons as they propagate down the array. Our model is equivalent to previously examined spin chains in the one-excitation sector and in the absence of emitters. We introduce a Monte Carlo approach to the inverse eigenvalue problem which allows the determination of the inter-cavity and cavity-emitter couplings resulting in near-perfect quantum state transfer fidelity, and examine the time dependent polariton wave function through exact diagonalization of the resulting Tavis-Cummings-Hubbard Hamiltonian. The effect of inhomogeneous emitter locations is also evaluated.

quant-ph↗

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↗

arXiv2021

Learning quantum phase transitions through Topological Data Analysis

We implement a computational pipeline based on a recent machine learning technique, namely the Topological Data Analysis (TDA), that has the capability of extracting powerful information-carrying topological features. We apply such a method to the study quantum phase transitions and, to showcase its validity and potential, we exploit such a method for the investigation of two paramount important quantum systems: the 2D periodic Anderson model and the Hubbard model on the honeycomb lattice, both cases on the half-filling. To this end, we have performed unbiased auxiliary field quantum Monte Carlo simulations, feeding the TDA with snapshots of the Hubbard-Stratonovich fields through the course of the simulations The quantum critical points obtained from TDA agree quantitatively well with the existing literature, therefore suggesting that this technique could be used to investigate quantum systems where the analysis of the phase transitions is still a challenge.

cond-mat.str-el↗

arXiv2021

Revisitando o Experimento de Eratóstenes: medida do raio de Terra

In this work, we measure the volumetric mean radius of the Earth, reproducing the historical experiment of Eratosthenes, carried out around 240 BC, in the ancient cities of Siena and Alexandria. Here, we perform measurements in the cities of Rio de Janeiro-RJ-Brazil and Teresina-PI-Brazil, whose longitude coordinates are close. Using simple equipment, such as plumb lines and rulers, we simultaneously measure the height of an object and its shadow's length at midday, when the Sun is at its highest elevation, in order to obtain the shadow angle. After determining the distance (latitude) between cities from satellite data, we use the measured shadow angles to estimate the volume mean radius of the Earth, from basic trigonometric arguments, finding a result whose error is $0.5 \% $ with respect to the literature. Furthermore, from the difference of time in which the Sun is at the highest point in the sky in each location, we also estimate the Earth's angular velocity. In summary, we pedagogically present how to obtain the mean curvature of the planet, assuming an approximately spherical surface, in addition to its angular velocity.

physics.hist-ph↗

arXiv2021

Percolation on Lieb lattices

We study site- and bond-percolation on a class of lattices referred to as Lieb lattices. In two dimensions the Lieb lattice (LL) is also known as the decorated square lattice, or as the CuO$_2$ lattice; in three dimensions it can be generalized to a layered Lieb lattice (LLL) or to a perovskite lattice (PL). Emergent electronic phenomena, such as topological states and ferrimagnetism, have been predicted to occur in these systems, which may be realized in optical lattices as well as in solid state. Since the study of the interplay between quantum fluctuations and disorder in these systems requires the availability of accurate estimates of geometrical critical parameters, such as percolation thresholds and correlation length exponents, here we use Monte Carlo simulations to obtain these data for Lieb lattices when a site (or bond) is present with probability $p$. We have found that the thresholds satisfy a mean-field (Bethe lattice) trend, namely that the critical concentration, $p_c$, increases as the average coordination number decreases; our estimates for the correlation length exponent are in line with the expectation that there is no change in the universality class.

cond-mat.stat-mech↗

arXiv2021

The two-dimensional $t$-$t^{\prime}$ Holstein model

The competition and interplay between charge-density wave and superconductivity have become a central subject for quasi-2D compounds. Some of these materials, such as the transition-metal dichalcogenides, exhibit strong electron-phonon coupling, an interaction that may favor both phases, depending on the external parameters, such as hydrostatic pressure. In view of this, here we analyze the single-band $t$-$t^{\prime}$ Holstein model in the square lattice, adding a next-nearest neighbor hopping $t^{\prime}$ in order to play the role of the external pressure. To this end, we perform unbiased quantum Monte Carlo simulations with an efficient inversion sampling technique appropriately devised for this model. Such a methodology drastically reduces the autocorrelation time, and increases the efficiency of the Monte Carlo approach. By investigating the charge-charge correlation functions, we obtain the behavior of the critical temperature as a function of $t^{\prime}$, and from compressibility analysis, we show that a first-order metal-to-insulator phase transition occurs. We also provide a low-temperature phase diagram for the model.

cond-mat.str-el↗

arXiv2021

The transverse field XY model on the diamond chain

We consider the $s=1/2$ transverse field $XY$ model on the frustrated diamond chain, considering anisotropic exchange parameters between nearest-neighbor spins. To this end, we employ three different methodologies: mean-field approximations, and state-of-the-art exact diagonalizations (ED), and density matrix renormalization group (DMRG) simulations. Within a mean-field theory, the Hamiltonian is fermionized by introducing the Jordan-Wigner transformation, and the interacting (many-body) terms are approximated to single-particle ones by a Hartree-Fock approach. We analyze the behavior of the induced and spontaneous magnetization as functions of the external field, investigating the magnetic properties at the ground state, and at finite temperatures. Interestingly, the mean-field results are in reasonable agreement with the ED and DMRG ones, in particular for the distorted chain, or at an intermediate/large spin anisotropy parameter. As our key results, we present phase diagrams anisotropy $\times$ magnetic field at zero temperature, discussing the emergence of phases and their quantum critical points. Finally, our analysis at finite temperature provides a range of parameters in which an unusual behavior of the induced magnetization occurs -- with it increasing as a function of temperature. This work presents a \textit{global} picture of the XY model on the diamond chain, which may be useful to understand features of magnetism in more complex geometries.

cond-mat.stat-mech↗

arXiv2021

Charge Density Wave and Superconductivity in the Disordered Holstein Model

The interplay between electron-electron correlations and disorder has been a central theme of condensed matter physics over the last several decades, with particular interest in the possibility that interactions might cause delocalization of an Anderson insulator into a metallic state, and the disrupting effects of randomness on magnetic order and the Mott phase. Here we extend this physics to explore electron-phonon interactions and show, via exact quantum Monte Carlo simulations, that the suppression of the charge density wave correlations in the half-filled Holstein model by disorder can stabilize a superconducting phase. Our simulations thus capture qualitatively the suppression of charge ordered phases and emergent superconductivity recently seen experimentally.

cond-mat.str-el↗

arXiv2020

Magnetism and charge order in the honeycomb lattice

Despite being relevant to better understand the properties of honeycomb-like systems, as graphene-based compounds, the electron-phonon interaction is commonly disregarded in theoretical approaches. That is, the effects of phonon fields on \textit{interacting} Dirac electrons is an open issue, in particular when investigating long-range ordering. Thus, here we perform unbiased quantum Monte Carlo simulations to examine the Hubbard-Holstein model (HHM) in the half-filled honeycomb lattice. By performing careful finite-size scaling analysis, we identify semimetal-to-insulator quantum critical points, and determine the behavior of the antiferromagnetic and charge-density wave phase transitions. We have, therefore, established the ground state phase diagram of the HHM for intermediate interaction strength, determining its behavior for different phonon frequencies. Our findings represent a complete description of the model, and may shed light on the emergence of many-body properties in honeycomb-like systems.

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

Phase diagram of the two-dimensional Hubbard-Holstein model: enhancement of $s$-wave pairing between charge and magnetic orders

We investigate the role of electron-electron and electron-phonon interactions in strongly correlated systems by performing unbiased quantum Monte Carlo simulations in the square lattice Hubbard-Holstein model at half-filling. We study the competition and interplay between antiferromagnetism (AFM) and charge-density wave (CDW), establishing its very rich phase diagram. In the region between AFM and CDW phases, we have found an enhancement of superconducting pairing correlations, favoring (nonlocal) $s$-wave pairs. Our study sheds light over past inconsistencies in the literature, in particular the emergence of CDW in the pure Holstein model case.

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↗

arXiv2018

Principal Component Analysis for Fermionic Critical Points

We use determinant Quantum Monte Carlo (DQMC), in combination with the principal component analysis (PCA) approach to unsupervised learning, to extract information about phase transitions in several of the most fundamental Hamiltonians describing strongly correlated materials. We first explore the zero temperature antiferromagnet to singlet transition in the Periodic Anderson Model, the Mott insulating transition in the Hubbard model on a honeycomb lattice, and the magnetic transition in the 1/6-filled Lieb lattice. We then discuss the prospects for learning finite temperature superconducting transitions in the attractive Hubbard model, for which there is no sign problem. Finally, we investigate finite temperature charge density wave (CDW) transitions in the Holstein model, where the electrons are coupled to phonon degrees of freedom, and carry out a finite size scaling analysis to determine $T_c$. We examine the different behaviors associated with Hubbard-Stratonovich auxiliary field configurations on both the entire space-time lattice and on a single imaginary time slice, or other quantities, such as equal-time Green's and pair-pair correlation functions.

cond-mat.str-el↗

arXiv2017

Phonon dispersion and the competition between pairing and charge order

The Holstein Model (HM) describes the interaction between fermions and a collection of local (dispersionless) phonon modes. In the dilute limit, the phonon degrees of freedom dress the fermions, giving rise to polaron and bipolaron formation. At higher densities, the phonons mediate collective superconducting (SC) and charge density wave (CDW) phases. Quantum Monte Carlo (QMC) simulations have considered both these limits, but have not yet focused on the physics of more general phonon spectra. Here we report QMC studies of the role of phonon dispersion on SC and CDW order in such models. We quantify the effect of finite phonon bandwidth and curvature on the critical temperature $T_{\rm cdw}$ for CDW order, and also uncover several novel features of diagonal long range order in the phase diagram, including a competition between charge patterns at momenta ${\bf q}=(π,π)$ and ${\bf q}=(0,π)$ which lends insight into the relationship between Fermi surface nesting and the wavevector at which charge order occurs. We also demonstrate SC order at half-filling in situations where nonzero bandwidth sufficiently suppresses $T_{\rm cdw}$.

cond-mat.str-el↗