arXiv subjects

A. Nocera

Publications and source records attributed to A. Nocera.

At least 19 recordsLinked to original sources

arXiv2024

Frustrated S = 1/2 Chains in One-Dimensional Correlated Metal Ti4MnBi2

Electronic correlations lead to heavy quasiparticles in three-dimensional (3D) metals, and their collapse can destabilize magnetic moments. It is an open question whether there is an analogous instability in one-dimensional (1D) systems, unanswered due to the lack of metallic spin chain materials. We report neutron scattering measurements and Density Matrix Renormalization Group calculations establishing spinons in the correlated metal Ti4MnBi2, confirming that its magnetism is 1D. Ti4MnBi2 is inherently frustrated, forming near a quantum critical point (QCP) separating different temperature T = 0 phases of the J1-J2 XXZ model. 1D magnetism dominates to the lowest T, and is barely affected by weak interchain coupling. Ti4MnBi2 is the first metallic spin chain where 3D conduction electrons become strongly correlated due to their coupling to 1D magnetic moments.

cond-mat.str-el↗

arXiv2023

Transition to the Haldane phase driven by electron-electron correlations

One of the most famous quantum systems with topological properties, the spin $\mathcal{S}=1$ antiferromagnetic Heisenberg chain, is well-known to display exotic $\mathcal{S}=1/2$ edge states. However, this spin model has not been analyzed from the more general perspective of strongly correlated systems varying the electron-electron interaction strength. Here, we report the investigation of the emergence of the Haldane edge in a system of interacting electrons -- the two-orbital Hubbard model -- with increasing repulsion strength $U$ and Hund interaction $J_\mathrm{H}$. We show that interactions not only form the magnetic moments but also form a topologically nontrivial fermionic many-body ground-state with zero-energy edge states. Specifically, upon increasing the strength of the Hubbard repulsion and Hund exchange, we identify a sharp transition point separating topologically trivial and nontrivial ground-states. Surprisingly, such a behaviour appears already at rather small values of the interaction, in a regime where the magnetic moments are barely developed.

cond-mat.str-el↗

arXiv2023

Signatures of Dissipation Driven Quantum Phase Transition in Rabi Model

By using worldline Monte Carlo technique, matrix product state and a variational approach à la Feynman, we investigate the equilibrium properties and relaxation features of the dissipative quantum Rabi model, where a two level system is coupled to a linear harmonic oscillator embedded in a viscous fluid. We show that, in the Ohmic regime, a Beretzinski-Kosterlitz-Thouless quantum phase transition occurs by varying the coupling strength between the two level system and the oscillator. This is a non perturbative result, occurring even for extremely low dissipation magnitude. By using state-of-the-art theoretical methods, we unveil the features of the relaxation towards the thermodynamic equilibrium, pointing out the signatures of quantum phase transition both in the time and frequency domains. We prove that, for low and moderate values of the dissipation, the quantum phase transition occurs in the deep strong coupling regime. We propose to realize this model by coupling a flux qubit and a damped LC oscillator.

quant-ph↗

arXiv2022

Qubit-oscillator relationships in the open quantum Rabi model: the role of dissipation

Using a dissipative quantum Rabi model, we study the dynamics of a slow qubit coupled to a fast quantum harmonic oscillator interacting with a bosonic bath from weak to strong and ultra-strong coupling regimes. Solving the quantum Heisenberg equations of motion, perturbative in the internal coupling between qubit and oscillator, we derive functional relationships directly linking the qubit coordinates in the Bloch sphere to oscillator observables. We then perform accurate time-dependent Matrix Product State simulations, and compare our results both with the analytical solutions of the Heisenberg equations of motion, and with numerical solutions of a Lindblad master equation, perturbative in the external coupling between oscillator and environment. Indeed, we show that, up to the strong coupling regime, the qubit state accurately fulfills the derived functional relationships. We analyse in detail the case of a qubit starting with generic coordinates on the Bloch sphere of which we evaluate the three components of the Bloch vector through the averages of oscillator observables. Interestingly, a weak to intermediate oscillator coupling to the bath is able to simplify the Bloch vector evaluation since qubit-oscillator relationships are more immediate. Moreover, by monitoring the qubit fidelity with respect to free limit, we find the parameter regime where the combined effect of internal and external couplings is able to hinder the reliable evaluation of the qubit Bloch vector. Finally, in the ultra-strong coupling regime, non-Markovian effects become robust and the dynamics of qubit and oscillator are inextricably entangled making the qubit Bloch vector evaluation difficult.

quant-ph↗

arXiv2022

Crossover of the high-energy spin fluctuations from collective triplons to localized magnetic excitations in doped Sr14-xCaxCu24O41 cuprate ladders

We studied the magnetic excitations in the quasi-one-dimensional (q-1D) ladder subsystem of Sr_(14-x) Ca_x Cu_24 O_41(SCCO) using Cu L_3-edge resonant inelastic X-ray scattering (RIXS). By comparing momentum-resolved RIXS spectra with (x=12.2) and without (x=0) high Ca content, we track the evolution of the magnetic excitations from collective two-triplon (2T) excitations (x=0) to weakly-dispersive gapped modes at an energy of 280 meV (x=12.2). Density matrix renormalization group (DMRG) calculations of the RIXS response in the doped ladders suggest that the flat magnetic dispersion and damped excitation profile observed at x=12.2 originates from enhanced hole localization. This interpretation is supported by polarization-dependent RIXS measurements, where we disentangle the spin-conserving ΔS=0 scattering from the predominant ΔS=1 spin-flip signal in the RIXS spectra. The results show that the low-energy weight in the ΔS=0 channel is depleted when Sr is replaced by Ca, consistent with a reduced carrier mobility. Our results demonstrate that off-ladder impurities can affect both the low-energy magnetic excitations and superconducting correlations in the CuO_4 plaquettes. Finally, our study characterizes the magnetic and charge fluctuations in the phase from which superconductivity emerges in SCCO at elevated pressures.

cond-mat.supr-con↗

arXiv2021

Quadrupolar magnetic excitations in an isotropic spin-1 antiferromagnet

The microscopic origins of emergent behaviours in condensed matter systems are encoded in their excitations. In ordinary magnetic materials, single spin-flips give rise to collective dipolar magnetic excitations called magnons. Likewise, multiple spin-flips can give rise to multipolar magnetic excitations in magnetic materials with spin $\mathbf{S} \boldsymbol{\ge} \mathbf{1}$. Unfortunately, since most experimental probes are governed by dipolar selection rules, collective multipolar excitations have generally remained elusive. For instance, only dipolar magnetic excitations have been observed in isotropic $\mathbf{S}\boldsymbol{=}\mathbf{1}$ Haldane spin systems. Here, we unveil a hidden quadrupolar constituent of the spin dynamics in antiferromagnetic $\mathbf{S}\boldsymbol{=}\mathbf{1}$ Haldane chain material Y$_\mathbf{2}$BaNiO$_\mathbf{5}$ using Ni $\mathbf{L_3}$-edge resonant inelastic x-ray scattering. Our results demonstrate that pure quadrupolar magnetic excitations can be probed without direct interactions with dipolar excitations or anisotropic perturbations. Originating from on-site double spin-flip processes, the quadrupolar magnetic excitations in Y$_\mathbf{2}$BaNiO$_\mathbf{5}$ show a remarkable dual nature of collective dispersion. While one component propagates as non-interacting entities, the other behaves as a bound quadrupolar magnetic wave. This result highlights the rich and largely unexplored physics of higher-order magnetic excitations.

cond-mat.str-el↗

arXiv2021

Quantum Phase Transition of Many Interacting Spins Coupled to a Bosonic Bath: static and dynamical properties

By using worldline and diagrammatic quantum Monte Carlo techniques, matrix product state and a variational approach à la Feynman, we investigate the equilibrium properties and relaxation features of a quantum system of $N$ spins antiferromagnetically interacting with each other, with strength $J$, and coupled to a common bath of bosonic oscillators, with strength $α$. We show that, in the Ohmic regime, a Beretzinski-Thouless-Kosterlitz quantum phase transition occurs. While for $J=0$ the critical value of $α$ decreases asymptotically with $1/N$ by increasing $N$, for nonvanishing $J$ it turns out to be practically independent on $N$, allowing to identify a finite range of values of $α$ where spin phase coherence is preserved also for large $N$. Then, by using matrix product state simulations, and the Mori formalism and the variational approach à la Feynman jointly, we unveil the features of the relaxation, that, in particular, exhibits a non monotonic dependence on the temperature reminiscent of the Kondo effect. For the observed quantum phase transition we also establish a criterion analogous to that of the metal-insulator transition in solids.

cond-mat.stat-mech↗

arXiv2018

Spin dynamics of the block orbital-selective Mott phase

Iron-based superconductors display a variety of magnetic phases originating in the competition between electronic, orbital, and spin degrees of freedom. Previous theoretical investigations of the multi-orbital Hubbard model in one dimension revealed the existence of an orbital-selective Mott phase (OSMP) with block spin order. Recent inelastic neutron scattering (INS) experiments on the BaFe$_2$Se$_3$ ladder compound confirmed the relevance of the block-OSMP. Moreover, the powder INS spectrum reveled an unexpected structure, containing both low-energy acoustic and high-energy optical modes. Here we present the theoretical prediction for the dynamical spin structure factor within a block-OSMP regime using the density-matrix renormalization group method. In agreement with experiments we find two dominant features: low-energy dispersive and high-energy dispersionless modes. We argue that the former represents the spin-wave-like dynamics of the block ferromagnetic islands, while the latter is attributed to a novel type of local on-site spin excitations controlled by the Hund coupling.

cond-mat.str-el↗

arXiv2018

Computing Resonant Inelastic X-Ray Scattering Spectra Using The Density Matrix Renormalization Group Method

We present a method for computing resonant inelastic x-ray scattering (RIXS) spectra in one-dimensional systems using the density matrix renormalization group (DMRG) method. By using DMRG to address the problem, we shift the computational bottleneck from the memory requirements associated with exact diagonalization (ED) calculations to the computational time associated with the DMRG algorithm. This approach is then used to obtain RIXS spectra on cluster sizes well beyond state-of-the-art ED techniques. Using this new procedure, we compute the low-energy magnetic excitations observed in Cu $L$-edge RIXS for the challenging corner shared CuO$_4$ chains, both for large multi-orbital clusters and downfolded $t$-$J$ chains. We are able to directly compare results obtained from both models defined in clusters with identical momentum resolution. In the strong coupling limit, we find that the downfolded $t$-$J$ model captures the features of the magnetic excitations probed by RIXS after a uniform scaling of the spectra is taken into account.

cond-mat.str-el↗

arXiv2018

Doping evolution of charge and spin excitations in two-leg Hubbard ladders: comparing DMRG and RPA+FLEX results

We study the magnetic and charge dynamical response of a Hubbard model in a two-leg ladder geometry using the density matrix renormalization group (DMRG) method and the random phase approximation within the fluctuation-exchange approximation (RPA+FLEX). Our calculations reveal that RPA+FLEX can capture the main features of the magnetic response from weak up to intermediate Hubbard repulsion for doped ladders, when compared with the numerically exact DMRG results. However, while at weak Hubbard repulsion both the spin and charge spectra can be understood in terms of weakly-interacting electron-hole excitations across the Fermi surface, at intermediate coupling DMRG shows gapped spin excitations at large momentum transfer that remain gapless within the RPA+FLEX approximation. For the charge response, RPA+FLEX can only reproduce the main features of the DMRG spectra at weak coupling and high doping levels, while it shows an incoherent character away from this limit. Overall, our analysis shows that RPA+FLEX works surprisingly well for spin excitations at weak and intermediate Hubbard $U$ values even in the difficult low-dimensional geometry such as a two-leg ladder. Finally, we discuss the implications of our results for neutron scattering and resonant inelastic x-ray scattering experiments on two-leg ladder cuprate compounds.

cond-mat.str-el↗

arXiv2017

Signatures of pairing in the magnetic excitation spectrum of strongly correlated ladders

Magnetic interactions are widely believed to play a crucial role in the microscopic mechanism leading to high critical temperature superconductivity. It is therefore important to study the signatures of pairing in the magnetic excitation spectrum of simple models known to show unconventional superconducting tendencies. Using the Density Matrix Renormalization Group technique, we calculate the dynamical spin structure factor $S({\bf k},ω)$ of a generalized $t-U-J$ Hubbard model away from half-filling in a two-leg ladder geometry. The addition of $J$ enhances pairing tendencies. We analyze quantitatively the signatures of pairing in the magnetic excitation spectra. We found that the superconducting pair-correlation strength, that can be estimated independently from ground state properties, is closely correlated with the integrated low-energy magnetic spectral weight in the vicinity of $(π,π)$. In this wave-vector region, robust spin incommensurate features develop with increasing doping. The branch of the spectrum with rung direction wave-vector $k_{rung}=0$ does not change substantially with doping where pairing dominates, and thus plays a minor role. We discuss the implications of our results for neutron scattering experiments, where the spin excitation dynamics of hole-doped quasi-one dimensional magnetic materials can be measured, and also address implications for recent resonant inelastic X-ray scattering experiments.

cond-mat.str-el↗

arXiv2017

Pairing Tendencies in a Two-orbital Hubbard Model in One Dimension

The recent discovery of superconductivity under high pressure in the ladder compound BaFe$_2$S$_3$ has opened a new field of research in iron-based superconductors with focus on quasi one-dimensional geometries. In this publication, using the Density Matrix Renormalization Group technique, we study a two-orbital Hubbard model defined in one dimensional chains. Our main result is the presence of hole binding tendencies at intermediate Hubbard $U$ repulsion and robust Hund coupling $J_H/U=0.25$. Binding does not occur neither in weak coupling nor at very strong coupling. The pair-pair correlations that are dominant near half-filling, or of similar strength as the charge and spin correlation channels, involve hole-pair operators that are spin singlets, use nearest-neighbor sites, and employ different orbitals for each hole. The Hund coupling strength, presence of robust magnetic moments, and antiferromagnetic correlations among them are important for the binding tendencies found here.

cond-mat.str-el↗

arXiv2016

Magnetic excitation spectra of strongly correlated quasi-one dimensional systems: Heisenberg versus Hubbard-like behavior

We study the effects of charge degrees of freedom on the spin excitation dynamics in quasi-one dimensional magnetic materials. Using the density matrix renormalization group method, we calculate the dynamical spin structure factor of the Hubbard model at half electronic filling on a chain and on a ladder geometry, and compare the results with those obtained using the Heisenberg model, where charge degrees of freedom are considered frozen. For both chains and two-leg ladders, we find that the Hubbard model spectrum qualitatively resembles the Heisenberg spectrum -- with low-energy peaks resembling spinonic excitations -- already at intermediate on-site repulsion as small as $U/t \sim 2-3$, although ratios of peak intensities at different momenta continue evolving with increasing $U/t$ converging only slowly to the Heisenberg limit. We discuss the implications of these results for neutron scattering experiments and we propose criteria to establish the values of $U/t$ of quasi-one dimensional systems described by one-orbital Hubbard models from experimental information.

cond-mat.str-el↗

arXiv2016

Spectral Functions with the Density Matrix Renormalization Group: Krylov-space Approach for Correction Vectors

Frequency-dependent correlations, such as the spectral function and the dynamical structure factor, help understand condensed matter experiments. Within the density matrix renormalization group (DMRG) framework, an accurate method for calculating spectral functions directly in frequency is the correction-vector method. The correction-vector can be computed by solving a linear equation or by minimizing a functional. This paper proposes an alternative to calculate the correction vector: to use the Krylov-space approach. This paper then studies the accuracy and performance of the Krylov-space approach, when applied to the Heisenberg, the t-J, and the Hubbard models. The cases studied indicate that Krylov-space approach can be more accurate and efficient than conjugate gradient, and that the error of the former integrates best when a Krylov-space decomposition is also used for ground state DMRG.

cond-mat.str-el↗

arXiv2016

Non-local correlations in the orbital selective Mott phase of a one dimensional multi-orbital Hubbard model

We study non-local correlations in a three-orbital Hubbard model defined on an extended one-dimensional chain using determinant quantum Monte Carlo and density matrix renormalization group methods. We focus on a parameter with robust Hund's coupling, which produces an orbital selective Mott phase (OSMP) at intermediate values of the Hubbard U, as well as an orbitally ordered ferromagnetic insulating state at stronger coupling. An examination of the orbital and spin-correlation functions indicates that the orbital ordering occurs before the onset of magnetic correlations in this parameter regime as a function of temperature. In the OSMP, we find that the self-energy for the itinerant electrons is momentum dependent, indicating a degree of non-local correlations while the localized electrons have largely momentum independent self-energies. These non-local correlations also produce relative shifts of the hole-like and electron-like bands within our model. The overall momentum dependence of these quantities is strongly suppressed in the orbitally-ordered insulating phase.

cond-mat.str-el↗

arXiv2016

Charge and heat transport of soft nanosystems in the presence of time-dependent perturbations

Soft nanosystems are electronic nanodevices, such as suspended carbon nanotubes or molecular junctions, whose transport properties are modulated by soft internal degrees of freedom, for example slow vibrational modes. In this review, effects of the electron-vibration coupling on the charge and heat transport of soft nanoscopic systems are theoretically investigated in the presence of time-dependent perturbations, such as a forcing antenna or pumping terms between the leads and the nanosystem. A well established approach valid for non-equilibrium adiabatic regimes is generalized to the case where external time-dependent perturbations are present. Then, a number of relevant applications of the method are reviewed for systems composed by a quantum dot (or molecule) described by a single electronic level coupled to a vibrational mode. Before introducing time-dependent perturbations, the range of validity of the adiabatic approach is discussed showing that a very good agreement with the results of an exact quantum calculation is obtained in the limit of low level occupation. Aim of this review has been to discuss common features of different soft nanosystems under external drive. The most interesting effects induced by time-dependent perturbations are obtained when the external forcing is nearly resonant with the slow vibrational modes. Indeed, not only the external forcing can enhance the electronic response, but it also induces nonlinear regimes where the interplay between electronic and vibrational degrees of freedom plays a major role.

cond-mat.mes-hall↗

arXiv2016

Symmetry Conserving Purification of Quantum States within the Density Matrix Renormalization Group

The density matrix renormalization group (DMRG) algorithm was originally designed to efficiently compute the zero temperature or ground-state properties of one dimensional strongly correlated quantum systems. The development of the algorithm at finite temperature has been a topic of much interest, because of the usefulness of thermodynamics quantities in understanding the physics of condensed matter systems, and because of the increased complexity associated with efficiently computing temperature-dependent properties. The ancilla method is a DMRG technique that enables the computation of these thermodynamic quantities. In this paper, we review the ancilla method, and improve its performance by working on reduced Hilbert spaces and using canonical approaches. We furthermore explore its applicability beyond spins systems to t-J and Hubbard models.

cond-mat.str-el↗

arXiv2014

Interplay of charge, spin and lattice degrees of freedom on the spectral properties of the one-dimensional Hubbard-Holstein model

We calculate the spectral function of the one dimensional Hubbard-Holstein model using the time dependent Density Matrix Renormalization Group (tDMRG), focusing on the regime of large local Coulomb repulsion, and away from electronic half-filling. We argue that, from weak to intermediate electron-phonon coupling, phonons interact only with the electronic charge, and not with the spin degrees of freedom. For strong electron-phonon interaction, spinon and holon bands are not discernible anymore and the system is well described by a spinless polaronic liquid. In this regime, we observe multiple peaks in the spectrum with an energy separation corresponding to the energy of the lattice vibrations (i.e., phonons). We support the numerical results by introducing a well controlled analytical approach based on Ogata-Shiba's factorized wave-function, showing that the spectrum can be understood as a convolution of three contributions, originating from charge, spin, and lattice sectors. We recognize and interpret these signatures in the spectral properties and discuss the experimental implications.

cond-mat.str-el↗