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S. M. de Souza

Publications and source records attributed to S. M. de Souza.

At least 19 recordsLinked to original sources
arXiv2026

Thermodynamic and magnetocaloric properties of a triangular spin-1/2 cluster with Dzyaloshinskii-Moriya interaction

We present a theoretical investigation of the magnetic and thermodynamic properties of the triangular spin-1/2 cluster with Dzyaloshinskii-Moriya (DM) interaction, described by a spin-1/2 Heisenberg Hamiltonian with antisymmetric exchange interactions. The energy spectrum and ground-state phase diagram reveal the presence of ferromagnetic (FM), ferrimagnetic (FI), and frustrated (FR) phases, strongly influenced by the total spin and the DM interaction. We analyze magnetization and susceptibility, showing that at low temperatures the system exhibits a characteristic 1/3 magnetization plateau, while thermal fluctuations suppress magnetic order at higher temperatures. The entropy and specific heat display residual entropies due to ground-state degeneracies, Schottky-type anomalies at intermediate temperatures, and additional low-temperature features related to phase transitions. Particular attention is given to the magnetocaloric effect (MCE), characterized by both direct and inverse regimes depending on the magnetic field variation. We find that the DM interaction enhances the complexity of the MCE, leading to nontrivial entropy variations as a function of the magnetic field. These results provide insights into the role of frustration and anisotropy in tuning the MCE of properties triangular spin clusters, with relevance to \mathrm{Cu}_{3}-based molecular magnets.

cond-mat.mes-hall↗
arXiv2025

Thermodynamic constraints and pseudotransition behavior in a one-dimensional water-like system

We investigate a one-dimensional water-like lattice model with Van der Waals and hydrogen-bond interactions, allowing for particle number fluctuations through a chemical potential. The model, defined on a chain with periodic boundary conditions, exhibits three ground-state phases: gas, bonded liquid, and dense liquid, separated by sharp phase boundaries in the chemical potential and temperature plane. Using the transfer matrix method, we derive exact analytical results within the grand-canonical ensemble and examine the finite-temperature behavior. The system exhibits clear pseudotransition features, including sharp but analytic changes in entropy, density, and internal energy, along with finite peaks in specific heat and correlation length. To assess the role of thermodynamic constraints, we consider the behavior under fixed density through a Legendre transformation. This constrained analysis reveals smoother anomalies, such as entropy kinks and finite jumps in specific heat, contrasting with the sharper grand-canonical signatures. These results underscore the ensemble dependence of pseudotransitions and show how statistical constraints modulate critical-like behavior. We also verify that the residual entropy continuity criterion holds in the grand-canonical ensemble but is violated when the system is constrained. Our findings illustrate how even a simple one-dimensional model can mimic water-like thermodynamic anomalies.

cond-mat.stat-mech↗
arXiv2025

Quantum Otto engine mimicking Carnot near pseudotransitions in the one-dimensional extended Hubbard model in the atomic limit

The one-dimensional extended Hubbard model (EHM) in the atomic limit has recently been found to exhibit a curious thermal pseudo-transition behavior, which closely resembles first and second-order thermal phase transitions. This phenomenon, occurring at half-filling, is influenced by the quantum phase transition between the alternating pair (AP) and paramagnetic (PM) phases at zero temperature. In this study, we leverage this anomalous behavior to investigate the performance of quantum many-body machines, using the EHM as the working substance. Our analysis reveals that the quantum Otto engine, when operating in the anomalous region, closely mimics the ideal Carnot engine. In this region, both the work output and thermal efficiency of the Otto engine increase, approaching the performance of a Carnot engine. This highlights the potential of many-body systems, such as the EHM, in enhancing quantum thermodynamic performance. Our findings demonstrate that, although the second law of thermodynamics prevents engines from surpassing Carnot efficiency, the Otto engine can operate remarkably close to this limit in the anomalous region, offering insights into new directions for future research on quantum thermodynamic cycles and working substances.

cond-mat.str-el↗
arXiv2024

Unusual low-temperature behavior in the half-filled band of the one-dimensional extended Hubbard model in atomic limit

Recently, a kind of finite-temperature pseudo-transition was observed in several quasi-one-dimensional models. In this work, we consider a genuine one-dimensional extended Hubbard model in the atomic limit, influenced by an external magnetic field and with the arbitrary number of particles controlled by the chemical potential. The one-dimensional extended Hubbard model in the atomic limit was initially studied in the seventies and has been investigated over the past decades, but it still surprises us today with its fascinating properties. We rigorously analyze its low-temperature behavior using the transfer matrix technique and provide accurate numerical results. Our analysis confirms that there is an anomalous behavior in the half-filled band, specifically occurring between the alternating pair (AP) and paramagnetic (PM) phases at zero temperature. Previous investigations did not deeply identify this anomalous behavior, maybe due to the numerical simplicity of the model, but from analytical point of view this is not so easy to manipulate algebraically because one needs to solve an algebraic cubic equation. In this study, we explore this behavior and clearly distinguish the pseudo-transition, which could easily be mistaken with a real phase transition. This anomalous behavior mimics features of both first- and second-order phase transitions. However, due to its nature, we cannot expect a finite-temperature phase transition in this model.

cond-mat.str-el↗
arXiv2023

Magnetocaloric effect in $\mathrm{Cu}_{3}$-type compounds using the Heisenberg antiferromagnetic model in a triangular ring

In this work we present a theoretical investigation into an antiferromagnetically coupled spin system, specifically ${\rm Cu}_{3}-X$ ($\mathrm{X=As,Sb}$), which exhibits an isosceles triangular configuration or slightly distorted equilateral triangular configuration, as previously identified in reference {[}Phys. Rev. Lett. \textbf{96}, 107202 (2006){]}. This system can be effectively represented by the Heisenberg model on a triangular structure, taking into account the exchange interaction, the Dzyaloshinskii-Moriya interaction, g-factors and external magnetic field, as delineated in the aforementioned reference. By using numerical approach we explore both zero-temperature and finite-temperature behaviors of a ${\rm Cu}_{3}$-like antiferromagnetically coupled spin system. At zero temperature, the system displays a 1/3 quasi-plateau magnetization, when the magnetic field is varied. Moreover, we place particular emphasis on magnetic properties including magnetization, magnetic susceptibility, entropy, and specific heat at finite temperatures. Furthermore, we investigate the magnetocaloric effect as a function of an externally imposed magnetic field, oriented both parallel and perpendicular to the plane of the triangular structure. Interestingly, these configurations demonstrate remarkably similar behavior for both orientations of the magnetic field. Our investigation also includes an analysis of the adiabatic curve, the Grüneisen parameter, and the variation in entropy when applied or removed the magnetic field. The magnetocaloric effect is found to be more prominent in low the temperature region, typically at $T\sim1$K, for both parallel and perpendicular magnetic fields at $\sim4.5$T and $\sim5$T, respectively.

cond-mat.str-el↗
arXiv2021

Anomalous thermodynamics in a mixed spin-1/2 and spin-1 hexagonal nanowire system

The mixed spin-1/2 Ising model and spin-1 Blume-Capel model in an hexagonal nanowire structure under the presence of crystal field is considered. The free energy is obtained through the transfer matrix technique, which is solved numerically. Our main result lies in the presence of pseudo-transition in low temperature region near the ferrimagnetic/ferromagnetic boundary, due to the influence of a crystal field. The evidence of a pseudo-transition is observed in several quantities. Free energy first derivative quantities like entropy and internal energy show an abrupt but continuous jump, whereas quantities associated with second derivatives of the free energy like the specific heat exhibit a strong sharp peak, quite similar to a second order phase transition. We also investigate magnetization patterns and do not find evidence of spontaneous magnetization. Nevertheless, assuming a small magnetic field, we can induce a magnetization which resembles a spontaneous magnetization at a pseudo-critical temperature.

cond-mat.stat-mech↗
arXiv2021

Low temperature pseudo-phase transition in an extended Hubbard diamond chain

We consider the extended Hubbard diamond chain with an arbitrary number of particles driven by chemical potential. The interaction between dimer diamond chain and nodal couplings is considered in the atomic limit (no hopping), while the dimer interaction includes the hopping term. We demonstrate that this model exhibits a pseudo-transition effect in the low-temperature regime. Here, we explore the pseudo-transition rigorously by analyzing several physical quantities. The internal energy and entropy depict sudden, although continuous, jumps which closely resembles discontinuous or first-order phase transition. At the same time, the correlation length and specific heat exhibit astonishing strong sharp peaks, quite similar to a second-order phase transition. We associate the ascending and descending part of the peak with power-law \textquotedbl pseudo-critical\textquotedbl exponents. We determine the pseudo-critical exponents in the temperature range where these peaks are developed, namely $ν=1$ for the correlation length and $α=3$ for the specific heat. We also study the behavior of the electron density and isothermal compressibility around the pseudo-critical temperature.

cond-mat.stat-mech↗
arXiv2021

Magnetoelastic properties of a spin-1/2 Ising-Heisenberg diamond chain in vicinity of a triple coexistence point

We study magnetoelastic properties of a spin-1/2 Ising-Heisenberg diamond chain, whose elementary unit cell consists of two decorating Heisenberg spins and one nodal Ising spin. It is assumed that each couple of the decorating atoms including the Heisenberg spins harmonically vibrates perpendicularly to the chain axis, while the nodal atoms involving the Ising spins are placed at rigid positions when ignoring their lattice vibrations. An effect of the magnetoelastic coupling on a ground state and finite-temperature properties is particularly investigated close to a triple coexistence point depending on a spring-stiffness constant ascribed to the Heisenberg interaction. The magnetoelastic nature of the Heisenberg dimers is reflected through a non-null plateau of the entropy emergent in a low-temperature region, whereas the specific heat displays an anomalous peak slightly below the temperature region corresponding to the entropy plateau. The magnetization also exhibits a plateau in the same temperature region at almost saturated value before it gradually tends to zero upon increasing of temperature. The magnetic susceptibility displays within the plateau region an inverse temperature dependence, which slightly drops above this plateau, whereas an inverse temperature dependence is repeatedly recovered at high enough temperatures.

cond-mat.stat-mech↗
arXiv2019

Peculiarities in pseudo-transitions of a mixed spin-$(1/2,1)$ Ising-Heisenberg double-tetrahedral chain in an external magnetic field

Recently, it has been rigorously verified that several one-dimensional (1D) spin models may exhibit a peculiar pseudo-transition accompanied with anomalous response of thermodynamic quantities in a close vicinity of pseudo-critical temperature. In the present work we will introduce and exactly solve a mixed spin-(1/2,1) Ising-Heisenberg double-tetrahedral chain in an external magnetic field as another particular example of 1D lattice-statistical model with short-range interactions that displays a pseudo-transition of this type. The investigated model exhibits at zero temperature three ferrimagnetic phases, three frustrated phases, and one saturated paramagnetic phase. The ground-state phase diagram involves five unusual interfaces (phase boundaries), at which the residual entropy per site equals to a larger entropy of one of two coexisting phases. Four such interfaces are between a non-degenerate ferrimagnetic phase and a macroscopically degenerate frustrated phase, while one interface is between two non-degenerate ferrimagnetic phases. Though thermal excitations typically destroy all fingerprints of zero-temperature phase transitions of 1D lattice-statistical models with short-range forces, the mixed spin-(1/2,1) Ising-Heisenberg double-tetrahedral chain is quite robust with respect to thermal excitations and it displays peculiar pseudo-transitions close to all five aforementioned interfaces.

cond-mat.stat-mech↗
arXiv2019

Tuning the thermal entanglement in a Ising-$XXZ$ diamond chain with two impurities

We study the local thermal entanglement in a spin-1/2 Ising-$XXZ$ diamond structure with two impurities. In this spin chain, we have the two impurities with an isolated $XXZ$ dimer between them. We focus on the study of the thermal entanglement in this dimer. The main goal of this paper is to provide a good understanding of the effect of impurities in the entanglement of the model. This model is exactly solved by a rigorous treatment based on the transfer-matrix method. Our results show that the entanglement can be tuned by varying the impurities parameters in this system. In addition, it is shown that the thermal entanglement for such a model exhibits a clear performance improvement when we control and manipulate the impurities compared to the original model without impurities. Finally, the impurities can be manipulated to locally control the thermal entanglement, unlike the original model where it is done globally.

quant-ph↗
arXiv2018

Correlation functions for a spin-$\frac{1}{2}$ Ising-XYZ diamond chain: Further evidence for quasi-phases and pseudo-transitions

One-dimensional systems with short-range interactions cannot exhibit a long-range order at nonzero temperature. However, there are some particular one-dimensional models, such as the Ising-Heisenberg spin models with a variety of lattice geometries, which exhibit unexpected behavior similar to the discontinuous or continuous temperature-driven phase transition. Although these pseudo-transitions are not true temperature-driven transitions showing only abrupt changes or sharp peaks in thermodynamic quantities, they may be confused while interpreting experimental data. Here we consider the spin-$\frac{1}{2}$ Ising-XYZ diamond chain in the regime when the model exhibits temperature-driven pseudo-transitions. We provide a detailed investigation of several correlation functions between distant spins that illustrates the properties of quasi-phases separated by pseudo-transitions. Inevitably, all correlation functions show the evidence of pseudo-transition, which are supported by the analytical solutions and, besides we provide a rigorous analytical investigation around the pseudo-critical temperature. It is worth to mention that the correlation functions between distant spins have an extremely large correlation length at pseudo-critical temperature.

cond-mat.stat-mech↗
arXiv2018

Quantum entanglement in the neighborhood of pseudo-transition for a spin-1/2 Ising-XYZ diamond chain

Recently has been observed for some one-dimensional models that exhibit unexpected pseudo-transitions and quasi-phases. This pseudo-transition resembles a first- and second-order phase transition simultaneously. One of those models is the spin-1/2 Ising-XYZ diamond chain, composed of Ising spin particles at the nodal sites and the Heisenberg spin particles at the interstitial sites. Where we assume Ising-type interaction between the nodal and interstitial sites, the Heisenberg-type interaction between interstitial sites, and with an external magnetic field applied along the z-axis. This model presents an exact analytical solution applying the transfer matrix technique, which shows 3 phases at zero temperature in the vicinity of pseudo-transition. The pseudo-transition separates quasi-phases, these quasi-phases still hold at a finite temperature most of the pattern configurations of a true phase at zero temperature. Here we study the quantum entanglement of pair spin particles in the quasi-phase regions, which can be measured through the concurrence. Then we observe an unexpected behavior in the concurrence, that is below pseudo-critical temperature the concurrence remains almost constant up to pseudo-critical temperature, but above the pseudo-critical temperature, the concurrence behaves as for the standard one-dimensional spin models. Further, we consider the entropy behavior of the system, below pseudo-critical temperature the entropy becomes almost null, while above pseudo-critical temperature the system exhibits standard behavior as for ordinary one-dimensional spin models.

cond-mat.str-el↗
arXiv2018

Heterobimetallic Dy-Cu coordination compound as a classical-quantum ferrimagnetic chain of regularly alternating Ising and Heisenberg spins

A classical-quantum chain composed of regularly alternating Ising and Heisenberg spins is rigorously solved by considering two distinct local anisotropy axes of the Ising spins. The ground-state phase diagram and magnetization curves are examined depending on a spatial orientation of the applied magnetic field. The phase diagram totally consists of four distinct phases and a few macroscopically degenerate points, where an outstanding coexistence of perfect order and complete disorder occurs within the so-called 'half-fire, half-ice' state. The zero-temperature magnetization curves generally exhibit a smooth dependence on a magnetic field owing to a canting angle between two coplanar anisotropy axes of the Ising spins, which enforces a misalignment of the magnetization vector from a direction of the applied magnetic field. It is evidenced that the investigated spin-chain model reproduces magnetic features of the heterobimetallic coordination compound Dy(NO)$_{3}$(DMSO)$_{2}$Cu(opba)(DMSO)$_{2}$ (DMSO=dimethylsulfoxide, opba=orthophenylenebisoxamato). The high-field magnetization data reported for the powder sample of this polymeric coordination compound generally display a substantial smoothing on account of a powder averaging.

cond-mat.str-el↗
arXiv2017

Effect of the Canting of Local Anisotropy Axes on Ground-State Properties of a Ferrimagnetic Chain with Regularly Alternating Ising and Heisenberg Spins

The effect of the canting of local anisotropy axes on the ground-state phase diagram and magnetization of a ferrimagnetic chain with regularly alternating Ising and Heisenberg spins is exactly examined in an arbitrarily oriented magnetic field. It is shown that individual contributions of Ising and Heisenberg spins to the total magnetization basically depend on the spatial orientation of the magnetic field and the canting angle between two different local anisotropy axes of the Ising spins.

cond-mat.str-el↗
arXiv2017

Quasi-phases and pseudo-transitions in one-dimensional models with nearest neighbor interactions

There are some particular one-dimensional models, such as the Ising-Heisenberg spin models with a variety of chain structures, which exhibit unexpected behaviors quite similar to the first and second order phase transition, which could be confused naively with an authentic phase transition. Through the analysis of the first derivative of free energy, such as entropy, magnetization, and internal energy, a "sudden" jump that closely resembles a first-order phase transition at finite temperature occurs. However, by analyzing the second derivative of free energy, such as specific heat and magnetic susceptibility at finite temperature, it behaves quite similarly to a second-order phase transition exhibiting an astonishingly sharp and fine peak. The correlation length also confirms the evidence of this pseudo-transition temperature, where a sharp peak occurs at the pseudo-critical temperature. We also present the necessary conditions for the emergence of these quasi-phases and pseudo-transitions.

cond-mat.stat-mech↗
arXiv2017

Thermal entanglement in a spin-1/2 Ising-XYZ distorted diamond chain with the second-neighbor interaction between nodal Ising spins

We consider a spin-1/2 Ising-XYZ distorted diamond chain with the XYZ interaction between the interstitial Heisenberg dimers, the nearest-neighbor Ising coupling between the nodal and interstitial spins, respectively, and the second-neighbor Ising coupling between the nodal spins. The ground-state phase diagram of the spin-1/2 Ising-XYZ distorted diamond chain exhibits several intriguing phases due to the XY anisotropy and the second-neighbor interaction, whereas the model can be exactly solved using the transfer-matrix technique. The quantum entanglement within the Heisenberg spin dimers is studied through a bipartite measure concurrence, which is calculated from a relevant reduced density operator. The concurrence may either show a standard thermal dependence with a monotonous decline with increasing temperature or a more peculiar thermal dependence accompanied with reentrant behavior of the concurrence. It is conjectured that the bipartite entanglement between the interstitial Heisenberg spin pairs in the natural mineral azurite is quite insensitive to the applied magnetic field and it persists up to approximately 30 Kelvins.

cond-mat.str-el↗
arXiv2017

Geometrically frustrated Cairo pentagonal lattice stripe with Ising and Heisenberg exchange interactions

Motivated by the recent discoveries of some compounds such as the $\mathrm{Bi}_{2}\mathrm{Fe}_{4}\mathrm{O}_{9}$ which crystallizes in an orthorhombic crystal structure with the $\mathrm{Fe}^{3+}$ ions, and iron-based oxyfluoride ${\rm Bi}_{4}{\rm Fe}_{5}{\rm O}_{13}{\rm F}$ compounds following the pattern of Cairo pentagonal structure, among some other compounds. We propose a model for one stripe of the Cairo pentagonal Ising-Heisenberg lattice, one of the edges of a pentagon is different, and this edge will be associated with a Heisenberg exchange interaction, while the Ising exchange interactions will associate the other edges. We study the phase transition at zero temperature, illustrating five phases: a ferromagnetic phase (FM), a dimer antiferromagnetic (DAF), a plaquette antiferromagnetic (PAF), a typical antiferromagnetic (AFM) and a peculiar frustrated phase (FRU) where two types of frustrated states with the same energy coexist. To obtain the partition function of this model, we use the transfer matrix approach and following the eight vertex model notation. Using this result we discuss the specific heat, internal energy and entropy as a function of the temperature, and we can observe some unexpected behavior in the low-temperature limit, such as anomalous double peak in specific heat due to the existence of three phase (FRU, PAF(AFM) and FM) transitions occurring in a close region to each other. Consequently, the low-lying energy thermal excitation generates this double anomalous peak, and we also discuss the internal energy at the low temperature limit, where this double peak curve occurs. Some properties of our result were compared with two dimensional Cairo pentagonal lattices, as well as orthogonal dimer plaquette Ising-Heisenberg chain.

cond-mat.str-el↗