arXiv subjects

L. O. Manuel

Publications and source records attributed to L. O. Manuel.

At least 19 recordsLinked to original sources

arXiv2025

Large-$N$ SU(4) Schwinger boson theory for coupled-dimer antiferromagnets

We develop a systematic large-$N$ expansion based on the Schwinger boson representation of SU(4) coherent states of dimers for the paradigmatic spin-$1/2$ bilayer square lattice Heisenberg antiferromagnet. This system exhibits a quantum phase transition between a quantum paramagnetic state and a Néel order state, driven by the coupling constant $g = J'/J$, which is defined as the ratio between the inter-dimer $J'$ and intra-dimer $J$ exchange interactions. We demonstrate that this approach accurately describes static and dynamic properties on both sides of the quantum phase transition. The critical coupling constant $g_c \approx 0.42$ and the dynamic spin structure factor reproduce quantum Monte Carlo results with high precision. Notably, the $1/N$ corrections reveal the longitudinal mode of the magnetically ordered phase along with the overdamping caused by its decay into the two-magnon continuum. The present large-$N$ $SU(N)$ Schwinger boson theory can be extended to more general cases of quantum paramagnets that undergo a quantum phase transition into magnetically ordered states.

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arXiv2024

Thermal decay of two-spinon bound states in quasi-2D triangular antiferromagnets

We analyze the temperature evolution of the anomalous magnetic spectrum of the spin-1/2 triangular quantum Heisenberg antiferromagnet, which is proximate to a quantum phase transition leading to a spin liquid phase. Recently, its low energy excitations have been identified with two-spinon bound states, well defined in an ample region of the Brillouin zone. In this work, we compute the thermal magnetic spectrum within a Schwinger boson approach, incorporating Gaussian fluctuations around the saddle-point approximation. In order to account for a finite Néel temperature $T_N$, we incorporate an exchange interaction between triangular layers. As temperature rises, the dispersion relation of the two-spinon bound states, representing single-magnon excitations, remains unchanged but becomes mixed with the thermally activated spinon continuum. Consequently, a crossover occurs at a temperature $T^* \simeq 0.75 T_N$, defining a {\it terminated Goldstone regime} between $T^*$ and $T_N$, where only the magnons close to the Goldstone modes survive as well-defined excitations, up to the Néel temperature. Our results support the idea that the fractionalization of magnons near a transition to a disordered phase can be extended to more realistic quasi-2D frustrated antiferromagnets.

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arXiv2024

Anomalous continuum scattering and higher-order van Hove singularity in the strongly anisotropic S = 1/2 triangular lattice antiferromagnet

The S = 1/2 triangular lattice antiferromagnet (TLAF) is a paradigmatic example of frustrated quantum magnetism. An ongoing challenge involves understanding the influence of exchange anisotropy on the collective behavior within such systems. Using inelastic neutron scattering (INS) and advanced calculation techniques, we have studied the low and high-temperature spin dynamics of Ba2La2CoTe2O12 (BLCTO): a Co2+-based Jeff = 1/2 TLAF that exhibits 120° order below TN = 3.26 K. We determined the spin Hamiltonian by fitting the energy-resolved paramagnetic excitations measured at T > TN, revealing exceptionally strong easy-plane XXZ anisotropy. Below TN, the excitation spectrum exhibits a high energy continuum having a larger spectral weight than the single-magnon modes, suggesting a scenario characterized by a spinon confinement length that markedly exceeds the lattice spacing. We conjecture that this phenomenon arises from the proximity to a quantum melting point, even under strong easy-plane XXZ anisotropy. Finally, we highlight characteristic flat features in the excitation spectrum, which are connected to higher-order van Hove singularities in the magnon dispersion directly induced by easy-plane XXZ anisotropy. Our results provide a rare experimental insight into the nature of highly anisotropic S = 1/2 TLAFs between the Heisenberg and XY limits.

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arXiv2024

Singlet polaron theory of low-energy optical excitations in NiPS$_3$

Light-matter interactions can be used as a tool to realize novel many-body states of matter and to study the interplay between electronic and magnetic degrees of freedom. In particular, tightly bound many-body states that behave as coherent quasi-particles are rare, and may lead to unconventional technological applications beyond the semi-conductor paradigm, particularly if these excitations are bosonic and can condense. Two-dimensional magnetic systems present a pristine platform to realize and study such states. We construct a theory that explains the low-energy optical excitations at 1.476 eV and 1.498 eV observed by photoluminiscence, optical absorption, and RIXS in the van der Waals antiferromagnet NiPS$_3$. Using \textit{ab initio} methods, we construct a two-band Hubbard model for two \textit{effective} Ni orbitals of the original lattice. The dominant effective hopping corresponds to third-nearest neighbours. This model exhibits two triplet-singlet excitations of energy near two times the Hund exchange. From perturbation theory, we obtain an effective model for the movement of the singlets in an antiferromagnetic background, that we solve using a generalized self-consistent Born approximation. These singlet excitations, dressed by a cloud of magnons, move coherently as polaronic-like quasi-particles, "singlet polarons". Our theory explains the main features of the observed spectra.

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arXiv2023

Witnessing quantum criticality and entanglement in the triangular antiferromagnet KYbSe$_2$

The Heisenberg triangular lattice quantum spin liquid and the phase transitions to nearby magnetic orders have received much theoretical attention, but clear experimental manifestations of these states are rare. This work investigates a new spin-half Yb$^{3+}$ delafossite material, KYbSe$_2$, whose inelastic neutron scattering spectra reveal a diffuse continuum with a sharp lower bound. Applying entanglement witnesses to the data reveals significant multipartite entanglement spread between its neighbors, and analysis of its magnetic exchange couplings shows close proximity to the triangular lattice Heisenberg quantum spin liquid. Key features of the data are reproduced by Schwinger-boson theory and tensor network calculations with a significant second-neighbor coupling $J_2$. The strength of the dynamical structure factor at the $K$ point shows a scaling collapse in $\hbarω/k_\mathrm{B}T$ down to 0.3 K, indicating a second-order quantum phase transition. Comparing this to previous theoretical work suggests that the proximate phase at larger $J_2$ is a gapped $\mathbb{Z}_2$ spin liquid, resolving a long-debated issue. We thus show that KYbSe$_2$ is close to a spin liquid phase, which in turn sheds light on the theoretical phase diagram itself.

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arXiv2023

Topological quantum phase transition of nickelocene on Cu(100)

Local quantum phase transitions driven by Kondo correlations have been theoretically proposed in several magnetic nanosystems; however, clear experimental signatures are scant. Modeling a nickelocene molecule on a Cu(100) substrate as a two-orbital Anderson impurity with single-ion easy-plane anisotropy coupled to two conduction bands, we find that recent scanning tunneling spectra measured at different microscope tip heights reveal the existence of a topological quantum phase transition from the usual local Fermi liquid with high zero-bias conductance to a non-Landau Fermi liquid, characterized by a non-trivial quantized Luttinger integral, with a small conductance. The effects of intermediate valence, finite temperature, and structural relaxation of the molecule position allow us to explain the different observed behaviors.

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arXiv2022

Evidence of Two-Spinon Bound States in the Magnetic Spectrum of Ba$_3$CoSb$_2$O$_9$

Recent inelastic neutron scattering (INS) experiments of the triangular antiferromagnet Ba$_3$CoSb$_2$O$_9$ revealed strong deviations from semiclassical theories. We demonstrate that key features of the INS data are well reproduced by a parton Schwinger boson theory beyond the saddle-point approximation. The measured magnon dispersion is well reproduced by the dispersion of two-spinon bound states (poles of the emergent gauge fields propagator), while the low-energy continuum scattering is reproduced by a quasifree two-spinon continuum, suggesting that a free-spinon gas is a good initial framework to study magnetically ordered states near a quantum melting point.

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arXiv2022

Schwinger boson theory of ordered magnets

The Schwinger boson theory provides a natural path for treating quantum spin systems with large quantum fluctuations. In contrast to semi-classical treatments, this theory allows us to describe a continuous transition between magnetically ordered and spin liquid states, as well as the continuous evolution of the corresponding excitation spectrum. The square lattice Heisenberg antiferromagnet is one of the first models that was approached with the Schwinger boson theory. Here we revisit this problem to reveal several subtle points that were omitted in previous treatments and that are crucial to further develop this formalism. These points include the freedom for the choice of the saddle point (Hubbard-Stratonovich decoupling and choice of the condensate) and the $1/N$ expansion in the presence of a condensate. A key observation is that the spinon condensate leads to Feynman diagrams that include contributions of different order in $1/N$, which must be accounted to get a qualitatively correct excitation spectrum. We demonstrate that a proper treatment of these contributions leads to an exact cancellation of the single-spinon poles of the dynamical spin structure factor, as expected for a magnetically ordered state. The only surviving poles are the ones arising from the magnons (two-spinon bound states), which are the true collective modes of an ordered magnet.

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arXiv2021

Iron phthalocyanine on Au(111) is a "non-Landau" Fermi liquid

The paradigm of Landau's Fermi liquid theory has been challenged with the finding of a strongly interacting Fermi liquid that cannot be adiabatically connected to a non-interacting system. A spin-1 two-channel Kondo impurity with anisotropy D has a quantum phase transition between two topologically different Fermi liquids with a peak (dip) in the Fermi level for D < Dc (D > Dc). Extending this theory to general multi-orbital problems with finite magnetic field, we reinterpret in a unified and consistent fashion several experimental studies of iron phthalocyanine molecules on Au(111) that were previously described in disconnected and conflicting ways. The differential conductance shows a zero-bias dip that widens when the molecule is lifted from the surface (reducing the Kondo couplings) and is transformed continuously into a peak under an applied magnetic field. We reproduce all features and propose an experiment to induce the topological transition.

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arXiv2021

Magnon-assisted dynamics of a hole doped in a cuprate superconductor

We calculate the quasiparticle dispersion and spectral weight of the quasiparticle that results when a hole is added to an antiferromagnetically ordered CuO$_2$ plane of a cuprate superconductor. We also calculate the magnon contribution to the quasiparticle spectral function. We start from a multiband model for the cuprates considered previously [Nat. Phys. \textbf{10}, 951 (2014)]. We map this model and the operator for creation of an O hole to an effective one-band generalized $t-J$ model, without free parameters. The effective model is solved using the state of the art self-consistent Born approximation. Our results reproduce all the main features of experiments. They also reproduce qualitatively the dispersion of the multiband model, giving better results for the intensity near wave vector $(π,π)$, in comparison with the experiments. In contrast to what was claimed in [Nat. Phys. \textbf{10}, 951 (2014)], we find that spin fluctuations play an essential role in the dynamics of the quasiparticle, and hence in both its weight and dispersion.

cond-mat.supr-con↗

arXiv2020

Interplay between spatial anisotropy and further exchange interactions in the triangular Heisenberg model

We investigate the interplay between spatial anisotropy and further exchange interactions in the spin-$\frac{1}{2}$ Heisenberg antiferromagnetic model on a triangular lattice. We use the Schwinger boson theory by including Gaussian fluctuations above the mean-field approach. The phase diagram exhibits a strong reduction of the long range collinear and incommensurate spirals regions with respect to the mean-field ones. This reduction is accompanied by the emergence of its short range order counterparts, leaving an ample room for $0$-flux and nematic spin liquid regions. Remarkably, within the neighborhood of the spatially isotropic line, there is a range where the spirals are so fragile that only the commensurate $120^{\circ}$ Néel ones survive. The good agreement with recent variational Monte Carlo predictions gives support to the rich phase diagram induced by spatial anisotropy.

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arXiv2019

Large-$S$ limit of the large-$N$ theory for the triangular antiferromagnet

Large-$S$ and large-$N$ theories (spin value $S$ and spinor component number $N$) are complementary, and sometimes conflicting, approaches to quantum magnetism. While large-$S$ spin-wave theory captures the correct semiclassical behavior, large-$N$ theories, on the other hand, emphasize the quantumness of spin fluctuations. In order to evaluate the possibility of the non-trivial recovery of the semiclassical magnetic excitations within a large-$N$ approach, we compute the large-$S$ limit of the dynamic spin structure of the triangular lattice Heisenberg antiferromagnet within a Schwinger boson spin representation. We demonstrate that, only after the incorporation of Gaussian ($1/N$) corrections to the saddle-point ($N=\infty$) approximation, we are able to exactly reproduce the linear spin wave theory results in the large-$S$ limit. The key observation is that the effect of $1/N$ corrections is to cancel out exactly the main contribution of the saddle-point solution; while the collective modes (magnons) consist of two spinon bound states arising from the poles of the RPA propagator. This result implies that it is essential to consider the interaction of the spinons with the emergent gauge fields and that the magnon dispersion relation should not be identified with that of the saddle-point spinons.

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arXiv2019

Fully compensated Kondo effect for a two-channel spin S=1 impurity

We study the low-temperature properties of the generalized Anderson impurity model in which two localized configurations, one with two doublets and the other with a triplet, are mixed by two degenerate conduction channels. By using the numerical renormalization group and the non-crossing approximation, we analyze the impurity entropy, its spectral density, and the equilibrium conductance for several values of the model parameters. Marked differences with respect to the conventional one-channel spin $s=1/2$ Anderson model, that can be traced as hallmarks of an impurity spin $S=1$, are found in the Kondo temperature, the width and position of the charge transfer peak, as well as the temperature dependence of the equilibrium conductance. Furthermore, we analyze the rich effects of a single-ion magnetic anisotropy $D$ on the Kondo behavior. In particular, as shown before, for large enough positive $D$ the system behaves as a "non-Landau" Fermi liquid that cannot be adiabatically connected to a non-interacting system turning off the interactions. For negative $D$ the Kondo effect is strongly suppressed. The model studied is suitable for a comprehensive analysis for recent investigations of a single Ni impurity embedded into an Au chain.

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arXiv2018

Correlated partial disorder in a weakly frustrated quantum antiferromagnet

Partial disorder --the microscopic coexistence of long-range magnetic order and disorder-- is a rare phenomenon, that has been experimental and theoretically reported in some Ising- or easy plane-spin systems, driven by entropic effects at finite temperatures. Here, we present an analytical and numerical analysis of the $S=1/2$ Heisenberg antiferromagnet on the $\sqrt{3}\times \sqrt{3}$-distorted triangular lattice, which shows that its quantum ground state has partial disorder in the weakly frustrated regime. This state has a 180$^\circ$ Néel ordered honeycomb subsystem, coexisting with disordered spins at the hexagon center sites. These central spins are ferromagnetically aligned at short distances, as a consequence of a Casimir-like effect originated by the zero-point quantum fluctuations of the honeycomb lattice.

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arXiv2018

Dynamical structure factor of the triangular antiferromagnet: the Schwinger boson theory beyond the mean field approach

We compute the zero temperature dynamical structure factor $S({\bf q},ω)$ of the triangular lattice Heisenberg model (TLHM) using a Schwinger boson approach that includes the Gaussian fluctuations ($1/N$ corrections) of the saddle point solution. While the ground state of this model exhibits a well-known 120$^{\circ}$ magnetic ordering, experimental observations have revealed a strong quantum character of the excitation spectrum. We conjecture that this phenomenon arises from the proximity of the ground state of the TLHM to the quantum melting point separating the magnetically ordered and spin liquid states. Within this scenario, magnons are described as collective modes (two spinon-bound states) of a spinon condensate (Higgs phase) that spontaneously breaks the SU(2) symmetry of the TLHM. Crucial to our results is the proper account of this spontaneous symmetry breaking. The main qualitative difference relative to semi-classical treatments ($1/S$ expansion) is the presence of a high-energy spinon continuum extending up to about three times the single-magnon bandwidth. In addition, the magnitude of the ordered moment ($m=0.224$) agrees very well with numerical results and the low energy part of the single-magnon dispersion is in very good agreement with series expansions. Our results indicate that the Schwinger boson approach is an adequate starting point for describing the excitation spectrum of some magnetically ordered compounds that are near the quantum melting point separating this Higgs phase from the {\it deconfined} spin liquid state.

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arXiv2018

Topological quantum phase transition between Fermi liquid phases in an Anderson impurity model

We study a generalized Anderson model that mixes two localized configurations --one formed by two degenerate doublets and the other by a triplet with single-ion anisotropy $DS_z^2$-- by means of two degenerate conduction channels. The model has been derived for a single Ni impurity embedded into an O-doped Au chain. Using the numerical renormalization group, we find a topological quantum phase transition, at a finite value $D_c,$ between two regular Fermi liquid phases of high (low) conductance and topological number $2 I_L/π= 0$ (-1) for $D < D_c$ ($D > D_c$), where $I_L$ is the well-known Luttinger integral. At finite temperature the two phases are separated by a non-Fermi liquid phase with fractional impurity entropy $\frac{1}{2}{\rm ln}2$ and other properties which remind those of the two-channel Kondo model.

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arXiv2018

Generalized one-band model based on Zhang-Rice singlets for Tetragonal CuO

Tetragonal CuO (T-CuO) has attracted attention because of its structure similar to that of the cuprates. It has been recently proposed as a compound whose study can give an end to the long debate about the proper microscopic modeling for cuprates. In this work, we rigorously derive an effective one-band generalized $t\!-\!J$ model for T-CuO, based on orthogonalized Zhang-Rice singlets, and make an estimative calculation of its parameters, based on previous \textit{ab initio} calculations. By means of the self-consistent Born approximation, we then evaluate the spectral function and the quasiparticle dispersion for a single hole doped in antiferromagnetically ordered half-filled T-CuO. Our predictions show very good agreement with angle-resolved photoemission spectra and with theoretical multiband results. We conclude that a generalized $t\!-\!J$ model remains the minimal Hamiltonian for a correct description of single-hole dynamics in cuprates.

cond-mat.supr-con↗

arXiv2017

One dimensionalization in the spin-1 Heisenberg model on the anisotropic triangular lattice

We investigate the effect of dimensional crossover in the ground state of the antiferromagnetic spin-$1$ Heisenberg model on the anisotropic triangular lattice that interpolates between the regime of weakly coupled Haldane chains ($J^{\prime}\! \!\ll\!\! J$) and the isotropic triangular lattice ($J^{\prime}\!\!=\!\!J$). We use the density-matrix renormalization group (DMRG) and Schwinger boson theory performed at the Gaussian correction level above the saddle-point solution. Our DMRG results show an abrupt transition between decoupled spin chains and the spirally ordered regime at $(J^{\prime}/J)_c\sim 0.42$, signaled by the sudden closing of the spin gap. Coming from the magnetically ordered side, the computation of the spin stiffness within Schwinger boson theory predicts the instability of the spiral magnetic order toward a magnetically disordered phase with one-dimensional features at $(J^{\prime}/J)_c \sim 0.43$. The agreement of these complementary methods, along with the strong difference found between the intra- and the interchain DMRG short spin-spin correlations; for sufficiently large values of the interchain coupling, suggests that the interplay between the quantum fluctuations and the dimensional crossover effects gives rise to the one-dimensionalization phenomenon in this frustrated spin-$1$ Hamiltonian.

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