arXiv subjects

Sergio E. Ulloa

Publications and source records attributed to Sergio E. Ulloa.

At least 19 recordsLinked to original sources

arXiv2026

Thermal Hofstadter Butterflies

Fractal electronic spectra arising from the competition between lattice periodicity and magnetic flux are a fundamental hallmark of two-dimensional quantum systems. While the spectral properties of Hofstadter butterflies are well documented, their thermodynamic response has remained remarkably unexplored. We present an original characterization of the electronic entropy $S_{e}$, and specific heat $C_{e}$, at half-filling, for square, honeycomb, and triangular lattices under a magnetic field. We demonstrate that these observables exhibit fast and slow magneto-thermo oscillations and pronounced magnetocaloric effects. We identify striking self-similarity in $S_e$ and $C_e$, tracing heart-shaped specific heat and tunnel-like entropy contours that repeat at specific lattice-dependent magnetic fluxes. Entropy minima at low temperatures play a remarkable role, acting as fingerprints for the butterfly spines, resolving the underlying fractal spectra. These findings may establish thermal measurements as high-resolution spectroscopic probes, providing a robust framework for recognizing fractal signatures through thermodynamics in diverse nanostructures.

cond-mat.mes-hall↗

arXiv2025

Optimal array geometries for kinetic magnetism and Nagaoka polarons

Quantum dot (QD) platforms have enabled the direct observation of Nagaoka ferromagnetism (NFM) in small arrays and non-infinite interaction strength. However, optimizing the cluster connectivity characteristics that yield a ground state with maximal spin and their robustness against magnetic fields remains unexplored. Employing exact diagonalization of the Hubbard Hamiltonian, we find a connection between the existence of kinetic ferromagnetism and graph theory descriptions. Algebraic connectivity ($λ_2$) and Katz centrality (KC) are shown to be related to the spin-correlation over the system. In square arrays, the onset of NFM is found to be $t_c/U\simeq λ_2^2$. In optimal cluster geometries, large $λ_2$ and low KC fluctuation per site are found to enhance $t_c/U$, extending the NFM phase while diminishing the strength of spin correlation clouds. A perpendicular magnetic field introduces Aharonov-Bohm phases, and a critical flux for which NFM is destroyed. We further find that tuning the flux phase to $π$ results in a ground state that exhibits antiferromagnetic correlations (counter-Nagaoka state). Our results illustrate how NFM and polaron formation can be predicted from the array's connectivity ($λ_2$ and KC), and how the introduction of flux results in the counterintuitive destruction of kinetic ferromagnetism in the system.

cond-mat.str-el↗

arXiv2025

Superconductivity and geometric superfluid weight of a tunable flat band system

We study superconductivity and superfluid weight of the two-dimensional $α$-$\mathcal{T}_3$ lattice with on-site asymmetries, hosting an isolated quasi-flat band with tunable bandwidth via a parameter $α$. Within a mean-field approximation of the attractive Hubbard model, we obtain the superconducting order parameters on the three inequivalent sublattices and show their strong dependence on $α$, interaction strength, and electron filling. At quasi-flat band filling, a superconducting gap opens and grows power-law fast with interaction strength, instead of the usual slow exponential growth, due to diverging density of states. We calculate the superfluid weight from linear response theory and study its band dispersion and geometric contributions. While the conventional part proportional to band derivatives is suppressed in the quasi-flat band regime, the contribution dominated by the quantum metric grows linearly for small interaction strength. We further demonstrate how tuning $α$ enhances the quantum metric and thus the geometric superfluid weight especially near half-filling, while increasing on-site asymmetries increases the conventional contribution by broadening the quasi-flat band. We obtain the Berezinskii-Kosterlitz-Thouless transition temperature and demonstrate its strong dependence and enhancement with the parameter $α$. Our results establish a tunable flat band system, the $α$-$\mathcal{T}_3$ lattice model, as a candidate for tunable quantum geometry and superfluid weight and as a prototype of related behavior in tunable quantum materials.

cond-mat.supr-con↗

arXiv2025

Majorana edge states in s-wave kagome superconductors with Rashba interaction

We study kagome lattices with on-site and extended spin-singlet s-wave superconducting pairing and show that the inclusion of Rashba spin-orbit (RSO) interaction allows time-reversal-invariant topological superconducting states which support helical Majorana pairs at the edge. We calculate the Z2 topological invariant as a function of the pairing parameters for different chemical potentials. The rich phase diagrams reveal topological, nodal, and trivial superconducting states depending on the system parameters. We also consider a 2X2 time-reversal symmetry-breaking chiral flux phase, which has been demonstrated to be energetically favorable in the AV3Sb5 family of superconductors. Incorporating such symmetry-breaking order in our model leads to chiral Majorana edge states defined by a Chern number. We show how the RSO interaction allows for topological phases with even and odd Chern numbers for different system parameters. This work demonstrates how a simple s-wave kagome superconductor with RSO interaction can support helical and chiral Majorana edge states, and motivates the search for Majorana fermions in kagome superconductors.

cond-mat.supr-con↗

arXiv2025

Entropy, entanglement and susceptibility of three qubits near quantum criticality

This work investigates a system of three entangled qubits within the XXX model, subjected to an external magnetic field in the $z$-direction and incorporating an anisotropy term along the $y$-axis. We explore the thermodynamics of the system by calculating its magnetic susceptibility and analyzing how this quantity encodes information about entanglement. By deriving rigorous bounds for susceptibility, we demonstrate that their violation serves as an entanglement witness. Our results show that anisotropy enhances entanglement, extending the temperature range over which it persists. Additionally, by tracing over the degrees of freedom of two qubits, we examine the reduced density matrix of the remaining qubits and find that its entropy under the influence of the magnetic field can be mapped to an effective thermal bath at $(B,K) > 0$ K.

cond-mat.stat-mech↗

arXiv2025

Probing nonlocal correlations in magnetic rare-earth clusters

Understanding and quantifying entanglement entropy is crucial to characterize the quantum behaviors that drive phenomena in a variety of systems. Rare-earth spin complexes, with their unique magnetic properties, provide fertile ground for exploring these nonlocal correlations. In this work, we study Eu$^{2+}$ ions deposited on a Au(111) substrate, modeling finite clusters of large spin-moments using a Heisenberg Hamiltonian parameterized by first-principles calculations. Our analysis reveals a one-to-one correspondence between structures in the differential conductance profiles and changes in the von Neumann entanglement entropy of bipartite subsystems, influenced by probe-ion separation and applied magnetic fields. Distinct braiding patterns in the conductance profiles are shown to correspond to stepwise changes in the entanglement entropy, providing a new avenue for investigating quantum correlations. These results establish a foundation for experimentally probing and controlling entanglement in lanthanide-based systems, with potential applications in quantum technologies.

cond-mat.other↗

arXiv2024

Effects of Magnetic Anisotropy on 3-Qubit Antiferromagnetic Thermal Machines

This study investigates the anisotropic effects on a system of three qubits with chain and ring topology, described by the antiferromagnetic Heisenberg XXX model subjected to a homogeneous magnetic field. We explore the Stirling and Otto cycles and find that easy-axis anisotropy significantly enhances engine efficiency across all cases. At low temperatures, the ring configuration outperforms the chain on both work and efficiency during the Stirling cycle. Additionally, in both topologies, the Stirling cycle achieves Carnot efficiency with finite work at quantum critical points. In contrast, the quasistatic Otto engine also reaches Carnot efficiency at these points but yields no useful work. Notably, the Stirling cycle exhibits all thermal operational regimes engine, refrigerator, heater, and accelerator unlike the quasistatic Otto cycle, which functions only as an engine or refrigerator.

cond-mat.stat-mech↗

arXiv2024

Tuning electronic pairing by uniaxial strain in kagome lattices

We study the interplay of attractive electron interactions and topological states in strained kagome lattices with spin-orbit coupling via a Hubbard Hamiltonian in the mean-field approximation. In the unstrained lattice, there is a topological phase transition from a quantum spin Hall state to a charge density wave (CDW) with increasing interaction strength. Upon applying a uniform uniaxial strain to the lattice, we find a new phase with coexisting CDWs and topological states. For increasing interaction strength or strain, the system is driven into a pure CDW, signaling topological phase transitions. The directionality (nematicity) of the CDW is controlled by the direction of the applied strain. When $s$ wave electronic pairing is allowed, the system develops a superconducting order beyond a threshold attraction, which is totally suppressed by the onset of a CDW with increasing interaction. Most interestingly, moderate strain allows the coexistence of superconductivity and CDWs for a range of interaction values. This illustrates how electronic interactions and single-particle topological structures compete to create unusual correlated phases in kagome systems.

cond-mat.str-el↗

arXiv2023

Spin and electronic excitations in $4f$ atomic chains on Au(111) substrates

High spin systems, like those that incorporate rare-earth $4f$ elements (REEs), are increasingly relevant in many fields. Although research in such systems is sparse, the large Hilbert spaces they occupy are promising for many applications. In this work, we examine a one-dimensional linear array of europium (Eu) atoms on a Au(111) surface and study their electronic and magnetic excitations. Ab initio calculations using VASP with PBE+U are employed to study the structure. We find Eu atoms to have a net charge when on gold, consistent with a net magnetic momemt of $\simeq 3.5 μ_B$. Examining various spin-projection configurations, we can evaluate first and second neighbor exchange energies in an isotropic Heisenberg model between spin-$\frac{7}{2}$ moments to obtain $J_1 \approx -1.2 \, \mathrm{K}$ and $J_2 \approx 0.2 \, \mathrm{K}$ for the relaxed-chain atomic separation of $a \approx 5$ $\mathrm{\dot{A}}$. These parameters are used to obtain the full spin excitation spectrum of a physically realizable four-atom chain. The large $|J_1|/J_2$ ratio results in a highly degenerate ferromagnetic ground state that is split by a significant easy plane single ion anisotropy of $0.6$ K. Spin-flip excitations are calculated to extract differential conductance profiles as those obtained by scanning tunneling microscopy techniques. We uncover interesting behavior of local spin excitations, especially as we track their dispersion with applied magnetic fields.

cond-mat.mes-hall↗

arXiv2023

Tilted Dirac cones and topological transitions in strained kagome lattices

We study effects of strain on the electronic properties of the kagome lattice in a tight-binding formalism with spin-orbit coupling (SOC). The degeneracy at the $Γ$ point evolves into a pair of emergent tilted Dirac cones under uniaxial strain, where the anisotropy and tilting of the bands depend on the magnitude and direction of the strain field. SOC opens gaps at the emergent Dirac points, making the flatband topological, characterized by a nontrivial $\mathbb{Z}_2$ index. Strains of a few percent drive the system into trivial or topological phases. This confirms that moderate strain can be used to engineer anisotropic Dirac bands with tunable properties to study new phases in kagome lattices.

cond-mat.mtrl-sci↗

arXiv2021

Inducing chiral superconductivity on honeycomb lattice systems

Superconductivity in graphene-based systems has recently attracted much attention, as either intrinsic behavior or induced by proximity to a superconductor may lead to interesting topological phases and symmetries of the pairing function. A prominent system considers the pairing to have chiral symmetry. The question arises as to the effect of possible spin-orbit coupling on the resulting superconducting quasiparticle spectrum. Utilizing a Bogolyubov-de Gennes (BdG) Hamiltonian, we explore the interplay of different interaction terms in the system, and their role in generating complex Berry curvatures in the quasiparticle spectrum, as well as non-trivial topological behavior. We demonstrate that the topology of the BdG Hamiltonian in these systems may result in the appearance of edge states along the zigzag edges of nanoribbons in the appropriate regime.

cond-mat.supr-con↗

arXiv2019

Lateral heterostructures and one-dimensional interfaces in 2D transition metal dichalcogenides

The growth and exfoliation of two-dimensional (2D) materials have led to the creation of edges and novel interfacial states at the juncture between crystals with different composition or phases. These hybrid heterostructures (HSs) can be built as vertical van der Waals \emph{stacks}, resulting in a 2D interface, or as \emph{stitched} adjacent monolayer crystals, resulting in one-dimensional (1D) interfaces. Although most attention has been focused on vertical HSs, increasing theoretical and experimental interest in 1D interfaces is evident. In-plane interfacial states between different 2D materials inherit properties from both crystals, giving rise to robust states with unique 1D non-parabolic dispersion and strong spin-orbit effects. With such unique characteristics, these states provide an exciting platform for realizing 1D physics. Here, we review and discuss advances in 1D heterojunctions, with emphasis on theoretical approaches for describing those between semiconducting transition metal dichalcogenides $MX_{2}$ (with $M$=Mo, W and $X$= S, Se, Te), and how the interfacial states can be characterized and utilized. We also address how the interfaces depend on edge geometries (such as zigzag and armchair) or strain, as lattice parameters differ across the interface, and how these features affect excitonic/optical response. This review is intended to serve as a resource for promoting theoretical and experimental studies in this rapidly evolving field.

cond-mat.mes-hall↗

arXiv2019

Sublattice symmetry breaking and Kondo-effect enhancement in strained graphene

Kondo physics in doped monolayer graphene is predicted to exhibit unusual features due to the linear vanishing of the pristine material's density of states at the Dirac point. Despite several attempts, conclusive experimental observation of the phenomenon remains elusive. One likely obstacle to identification is a very small Kondo temperature scale $T_K$ in situations where the chemical potential lies near the Dirac point. We propose tailored mechanical deformations of monolayer graphene as a means of revealing unique fingerprints of the Kondo effect. Inhomogeneous strains are known to produce specific alternating changes in the local density of states (LDOS) away from the Dirac point that signal sublattice symmetry breaking effects. Small LDOS changes can be amplified in an exponential increase or decrease of $T_K$ for magnetic impurities attached at different locations. We illustrate this behavior in two deformation geometries: a circular 'bubble' and a long fold, both described by Gaussian displacement profiles. We calculate the LDOS changes for modest strains and analyze the relevant Anderson impurity model describing a magnetic atom adsorbed in either a 'top-site' or a 'hollow-site' configuration. Numerical renormalization-group solutions of the impurity model suggest that higher expected $T_K$ values, combined with distinctive spatial patterns under variation of the point of graphene attachment, make the top-site configuration the more promising for experimental observation of signatures of the Kondo effect. The strong strain sensitivity of $T_K$ may lift top-site Kondo physics into the range experimentally accessible using local probes such as scanning tunneling microscopy.

cond-mat.mes-hall↗

arXiv2019

Lateral Interfaces of Transition Metal Dichalcogenides: A Stable Tunable One-Dimensional Physics Platform

We study in-plane lateral heterostructures of commensurate transition-metal dichalcogenides, such as MoS$_{2}$-WS$_{2}$ and MoSe$_{2}$-WSe$_{2}$, and find interfacial and edge states that are highly localized to these regions of the heterostructure. These are one-dimensional (1D) in nature, lying within the bandgap of the bulk structure and exhibiting complex orbital and spin structure. We describe such heteroribbons with a three-orbital tight-binding model that uses first principles and experimental parameters as input, allowing us to model realistic systems. Analytical modeling for the 1D interfacial bands results in long-range hoppings due to the hybridization along the interface, with strong spin-orbit couplings. We further explore the Ruderman-Kittel-Kasuya-Yosida indirect interaction between magnetic impurities located at the interface. The unusual features of the interface states result in effective long-range exchange non-collinear interactions between impurities. These results suggest that transition-metal dichalcogenide interfaces could serve as stable, tunable 1D platform with unique properties for possible use in exploring Majorana fermions, plasma excitations and spintronics applications.

cond-mat.mes-hall↗

arXiv2018

Topological phases and twisting of graphene on a dichalcogenide monolayer

Depositing monolayer graphene on a transition metal dichalcogenide (TMD) semiconductor substrate has been shown to change the dynamics of the electronic states in graphene, inducing spin orbit coupling (SOC) and staggered potential effects. Theoretical studies on commensurate supercells have demonstrated the appearance of interesting phases, as different materials and relative gate voltages are applied. Here we address the effects of the real incommensurability between lattices by implementing a continuum model approach that does not require small-period supercells. The approach allows us to study the role of possible relative twists of the layers, and verify that the SOC transfer is robust to twists, in agreement with observations. We characterize the nature of the different phases by studying an effective Hamiltonian that fully describes the graphene-TMD heterostructure. We find the system supports topologically non-trivial phases over a wide range of parameter ranges, which require the dominance of the intrinsic SOC over the staggered and Rashba potentials. This tantalizing result suggests the possible experimental realization of a tunable quantum spin Hall phase under suitable conditions. We estimate that most TMDs used to date likely result in weak intrinsic SOC that would not drive the heterostructure into topologically non-trivial phases. Additional means to induce a larger intrinsic SOC, such as strain fields or heavy metal intercalation may be required.

cond-mat.mes-hall↗

arXiv2018

Proximity-induced topological transition and strain-induced charge transfer in graphene/MoS2 bilayer heterostructures

Graphene/MoS2 heterostructures are formed by combining the nanosheets of graphene and monolayer MoS2. The electronic features of both constituent monolayers are rather well-preserved in the resultant heterostructure due to the weak van der Waals interaction between the layers. However, the proximity of MoS2 induces strong spin orbit coupling effect of strength ~1 meV in graphene, which is nearly three orders of magnitude larger than the intrinsic spin orbit coupling of pristine graphene. This opens a bandgap in graphene and further causes anticrossings of the spin-nondegenerate bands near the Dirac point. Lattice incommensurate graphene/MoS2 heterostructure exhibits interesting moire' patterns which have been observed in experiments. The electronic bandstructure of heterostructure is very sensitive to biaxial strain and interlayer twist. Although the Dirac cone of graphene remains intact and no charge-transfer between graphene and MoS2 layers occurs at ambient conditions, a strain-induced charge-transfer can be realized in graphene/MoS2 heterostructure. Application of a gate voltage reveals the occurrence of a topological phase transition in graphene/MoS2 heterostructure. In this chapter, we discuss the crystal structure, interlayer effects, electronic structure, spin states, and effects due to strain and substrate proximity on the electronic properties of graphene/MoS2 heterostructure. We further present an overview of the distinct topological quantum phases of graphene/MoS2 heterostructure and review the recent advancements in this field.

cond-mat.mtrl-sci↗

arXiv2018

Native Point Defects in Antiferromagnetic Phases of CrN

We present a detailed analysis of the role of native point defects in the antiferromagnetic (AFM) phases of bulk chromium nitride (CrN). We perform first-principles calculations using local spin-density approximation, including local interaction effects (LSDA+U), to study the two lowest energy AFM models expected to describe the low-temperature phase of the material. We study the formation energies, lattice deformations and electronic and magnetic structure introduced by native point defects. We find that, as expected, nitrogen vacancies are the most likely defect present in the material at low temperatures. Nitrogen vacancies present different charged states in the cubic AFM model, exhibiting two transition energies, which could be measurable by thermometry experiments and could help identify the AFM structure in a sample. These vacancies also result in partial spin polarization of the induced impurity band, which would have interesting consequences in transport experiments. Other point defects have also signature electronic and magnetic structure that could be identified in scanning probe experiments.

cond-mat.mtrl-sci↗

arXiv2018

Proximity-induced topological phases in bilayer graphene

We study the band structure of phases induced by depositing bilayer graphene on a transition metal dichalcogenide monolayer. Tight-binding and low-energy effective Hamiltonian calculations show that it is possible to induce topologically nontrivial phases that should exhibit spin Hall effect in these systems. We classify bulk insulating phases through calculation of the Z$_2$ invariant, which unequivocally identifies the topology of the structure. The study of these and similar hybrid systems under applied gate voltage opens the possibility for tunable topological structures in real experimental systems.

cond-mat.mes-hall↗