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DOE OSTI2024

Pairing tendencies in the doped Kitaev-Heisenberg model

Here, we study the impact of hole doping on the Kitaev-Heisenberg model on the honeycomb lattice. We investigate the pairing tendencies and correlation functions in the framework of a t - J - K model using density matrix renormalization group calculations on three-leg cylinders. In the case of the pure Kitaev model, which realizes a quantum spin-liquid phase at half-filling, we find that binding of two holes only occurs at low values of the hopping, where the holes are slow. We have theoretically verified that pair formation occurs in the limit of immobile holes, where the pure Kitaev model remains exactly solvable. When we instead fix the hopping at an intermediate, more realistic, value, and vary the Heisenberg and Kitaev interaction strengths, we find pairing tendencies only in the Néel phase. This is in contrast to prior mean-field calculations, highlighting the importance of accounting for the kinetic energy of dopants in generalized Kitaev models. Interestingly, we also find signatures of pair-density wave formation over the studied range of model parameters, namely, a periodic modulation of the charge density as well as the spin-spin and pair-pair correlations in real space. Moreover, we present a comparative study of the different correlations as a function of doping. We finally discuss the potential for experimentally observing the studied physics in quantum materials and heterostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Nature of temperature chaos in spin glasses

Temperature chaos (TC) in spin glasses has been claimed to exist no matter how small the temperature change, Δ⁢T. However, experimental studies have exhibited a finite value of Δ⁢T for a transition to TC. This paper explores the onset of TC with much higher resolution than before and over a larger temperature range. We find that TC is always present, though small at the smallest Δ⁢T that we can reliably measure. However, it grows rapidly as Δ⁢T increases, the region of rapid growth coinciding with the Δ⁢T predicted from renormalization group arguments and observed experimentally. Here, we are able to transcend the full range of TC, from the completely reversible state to one that is maximally decorrelated from the initially prepared state.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Generalized multipolaron expansion for the spin-boson model: Environmental entanglement and the biased two-state system

We develop a systematic variational coherent state expansion for the many-body ground state of the spin-boson model, in which a quantum two-level system is coupled to a continuum of harmonic oscillators. Energetic constraints at the heart of this technique are rationalized in terms of polarons (displacements of the bath states in agreement with classical expectations) and antipolarons (counter- displacements due to quantum tunneling effects). We present a comprehensive study of the ground state two-level system population and coherence as a function of tunneling amplitude, dissipation strength, and bias (akin to asymmetry of the double well potential defining the two-state system). The entanglement among the different environmental modes is investigated by looking at spectroscopic signatures of the bipartite entanglement entropy between a given environmental mode and all the other modes. We observe a drastic change in behavior of this entropy for increasing dissipation, indicative of the entangled nature of the environmental states. In addition, the entropy spreads over a large energy range at strong dissipation, a testimony to the wide entanglement window characterizing the underlying Kondo state. Lastly, comparisons to accurate numerical renormalization group calculations and to the exact Bethe Ansatz solution of the model demonstrate the rapid convergence of our variationally-optimized multi-polaron expansion, suggesting that it should also be a useful tool for dissipative models of greater complexity, as relevant for numerous systems of interest in quantum physics and chemistry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Tensor network implementation of bulk entanglement spectrum

Many topologically nontrivial states of matter possess gapless degrees of freedom on the boundary, and when these boundary states delocalize into the bulk, a phase transition occurs, and the system becomes topologically trivial. We show that tensor networks provide a natural framework for analyzing such topological phase transitions in terms of the boundary degrees of freedom which mediate it. To do so, we make use of a correspondence between a topologically nontrivial ground state and its phase transition to a trivial phase established in T. Hsieh and L. Fu (arXiv:1305.1949). This involved computing the bulk entanglement spectrum (BES) of the ground state upon tracing out an extensive subsystem. Here, this work implements BES via tensor network representations of ground states. In this framework, the universality class of the quantum critical entanglement Hamiltonian in d spatial dimensions is either derived analytically or mapped to a classical statistical model in d +1 dimensions, which can be studied using Monte Carlo or tensor renormalization-group methods. As an example, we analytically derive the universality classes of topological phase transitions from the spin-1 chain Haldane phase and demonstrate that the Affleck-Kennedy-Lieb-Tasaki (AKLT) wave function (and its generalizations) remarkably contains critical six-vertex (and, in general, eight-vertex) models within it.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Competing phases, phase separation, and coexistence in the extended one-dimensional bosonic Hubbard model

Here, we study the phase diagram of the one-dimensional bosonic Hubbard model with contact (U) and near neighbor (V ) interactions focusing on the gapped Haldane insulating (HI) phase which is characterized by an exotic nonlocal order parameter. The parameter regime (U, V and μ) where this phase exists and how it competes with other phases such as the supersolid (SS) phase, is incompletely understood. We use the Stochastic Green Function quantum Monte Carlo algorithm as well as the density matrix renormalization group to map out the phase diagram. The HI exists only at = 1, the SS phase exists for a very wide range of parameters (including commensurate fillings) and displays power law decay in the one body Green function were our main conclusions. Additionally, we show that at fixed integer density, the system exhibits phase separation in the (U, V ) plane.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Charge modulation as fingerprints of phase-string triggered interference

Charge order appears to be an ubiquitous phenomenon in doped Mott insulators, which is currently under intense experimental and theoretical investigations particularly in the high T c cuprates. This phenomenon is conventionally understood in terms of Hartree-Fock-type mean-field theory. Here we demonstrate a mechanism for charge modulation which is rooted in the many-particle quantum physics arising in the strong coupling limit. Specifically, we consider the problem of a single hole in a bipartite t - J ladder. As a remnant of the fermion signs, the hopping hole picks up subtle phases pending the fluctuating spins, the so-called phase-string effect. We demonstrate the presence of charge modulations in the density matrix renormalization group solutions which disappear when the phase strings are switched off. This form of charge modulation can be understood analytically in a path-integral language with a mean-field-like approximation adopted, showing that the phase strings give rise to constructive interferences leading to self-localization. When the latter occurs, left- and right-moving propagating modes emerge inside the localization volume and their interference is responsible for the real space charge modulation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Phase diagram of the Z 3 parafermionic chain with chiral interactions

Parafermions are exotic quasiparticles with non-Abelian fractional statistics that can be realized and stabilized in one-dimensional models that are generalizations of the Kitaev p-wave wire. Here, we study the simplest generalization, i.e., the Z 3 parafermionic chain. Using a Jordan-Wigner transform we focus on the equivalent three-state chiral clock model, and study its rich phase diagram using the density matrix renormalization group technique. We perform our analyses using quantum entanglement diagnostics which allow us to determine phase boundaries, and the nature of the phase transitions. In particular, we study the transition between the topological and trivial phases, as well as to an intervening incommensurate phase which appears in a wide region of the phase diagram. The phase diagram is predicted to contain a Lifshitz type transition which we confirm using entanglement measures. We also attempt to locate and characterize a putative tricritical point in the phase diagram where the three above mentioned phases meet at a single point.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Kondo physics from quasiparticle poisoning in Majorana devices

Here, we present a theoretical analysis of quasiparticle poisoning in Coulomb-blockaded Majorana fermion systems tunnel-coupled to normal-conducting leads. Taking into account finite-energy quasiparticles, we derive the effective low-energy theory and present a renormalization group analysis. We find qualitatively new effects when a quasiparticle state with very low energy is localized near a tunnel contact. For M = 2 attached leads, such “dangerous” quasiparticle poisoning processes cause a spin S = 1/2 single-channel Kondo effect, which can be detected through a characteristic zero-bias anomaly conductance peak in all Coulomb blockade valleys. For more than two attached leads, the topological Kondo effect of the unpoisoned system becomes unstable. A strong-coupling bosonization analysis indicates that at low energy the poisoned lead is effectively decoupled and hence, for M > 3, the topological Kondo fixed point re-emerges, though now it involves only M–1 leads. As a consequence, for M = 3, the low-energy fixed point becomes trivial corresponding to decoupled leads.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Magnetic-field-induced mixed-level Kondo effect in two-level systems

We consider a two-orbital impurity system with intra-and interlevel Coulomb repulsion that is coupled to a single conduction channel. This situation can generically occur in multilevel quantum dots or in systems of coupled quantum dots. For finite energy spacing between spin-degenerate orbitals, an in-plane magnetic field drives the system from a local-singlet ground state to a "mixed-level" Kondo regime, where the Zeeman-split levels are degenerate for opposite-spin states. We use the numerical renormalization group approach to fully characterize this mixed-level Kondo state and discuss its properties in terms of the applied Zeeman field, temperature, and system parameters. Under suitable conditions, the total spectral function is shown to develop a Fermi-level resonance, so that the linear conductance of the system peaks at a finite Zeeman field while it decreases as a function of temperature. These features, as well as the local moment and entropy contribution of the impurity system, are commensurate with Kondo physics, which can be studied in suitably tuned quantum dot systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Nature of a single doped hole in two-leg Hubbard and t - J ladders

In this study, we have systematically studied the single-hole problem in two-leg Hubbard and t–J ladders by large-scale density-matrix renormalization-group calculations. We found that the doped holes in both models behave similarly, while the three-site correlated hopping term is not important in determining the ground-state properties. For more insights, we have also calculated the elementary excitations, i.e., the energy gaps to the excited states of the system. In the strong-rung limit, we found that the doped hole behaves as a Bloch quasiparticle in both systems where the spin and charge of the doped hole are tightly bound together. In the isotropic limit, while the hole still behaves like a quasiparticle in the long-wavelength limit, our results show that its spin and charge components are only loosely bound together inside the quasiparticle, whose internal structure can lead to a visible residual effect which dramatically changes the local structure of the ground-state wave function.

36 MATERIALS SCIENCE↗
DOE OSTI2016

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

In this paper, 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 ~ 2–3, although ratios of peak intensities at different momenta continue evolving with increasing U/t converging only slowly to the Heisenberg limit. Finally, 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.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Transport and optical conductivity in the Hubbard model: A high-temperature expansion perspective

We derive analytical expressions for the spectral moments of the dynamical response functions of the Hubbard model using the high-temperature series expansion. We consider generic dimension d as well as the infinite- d limit, arbitrary electron density n, and both finite and infinite repulsion U. We use moment-reconstruction methods to obtain the one-electron spectral function, the self-energy, and the optical conductivity. They are all smooth functions at high temperature and, at large U, they are featureless with characteristic widths of the order of the lattice hopping parameter t. In the infinite-d limit, we compare the series expansion results with accurate numerical renormalization group and interaction expansion quantum Monte Carlo results. We find excellent agreement down to surprisingly low temperatures, throughout most of the bad-metal regime, which applies for T≳ (1 - n)D, the Brinkman-Rice scale. The resistivity increases linearly in T at high temperature without saturation. This results from the 1/T behavior of the compressibility or kinetic energy, which play the role of the effective carrier number. In contrast, the scattering time (or diffusion constant) saturates at high T. We find that σ( n,T) ≈ (1 - n)σ(n = 0,T) to a very good approximation for all n, with σ(n = 0,T) ∝ t/T at high temperatures. The saturation at small n occurs due to a compensation between the density dependence of the effective number of carriers and that of the scattering time. The T dependence of the resistivity displays a kneelike feature which signals a crossover to the intermediate-temperature regime where the diffusion constant (or scattering time) starts increasing with decreasing T. At high temperatures, the thermopower obeys the Heikes formula, while the Wiedemann-Franz law is violated with the Lorenz number vanishing as 1/T 2 . The relevance of our calculations to experiments probing high-temperature transport in materials with strong electronic correlations or ultracold atomic gases in an optical lattice is briefly discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Nonlocal correlations in the orbital selective Mott phase of a one-dimensional multiorbital Hubbard model

Here, we study nonlocal 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 regime 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 nonlocal correlations while the localized electrons have largely momentum independent self-energies. These nonlocal correlations also produce relative shifts of the holelike and electronlike bands within our model. The overall momentum dependence of these quantities is strongly suppressed in the orbitally ordered insulating phase.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Thermalization and light cones in a model with weak integrability breaking

Here, we employ equation-of-motion techniques to study the nonequilibrium dynamics in a lattice model of weakly interacting spinless fermions. Our model provides a simple setting for analyzing the effects of weak integrability-breaking perturbations on the time evolution after a quantum quench. We establish the accuracy of the method by comparing results at short and intermediate times to time-dependent density matrix renormalization group computations. For sufficiently weak integrability-breaking interactions we always observe prethermalization plateaus , where local observables relax to nonthermal values at intermediate time scales. At later times a crossover towards thermal behavior sets in. We determine the associated time scale, which depends on the initial state, the band structure of the noninteracting theory, and the strength of the integrability-breaking perturbation. Our method allows us to analyze in some detail the spreading of correlations and in particular the structure of the associated light cones in our model. We find that the interior and exterior of the light cone are separated by an intermediate region, the temporal width of which appears to scale with a universal power law t 1/3 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Encoding the structure of many-body localization with matrix product operators

Anderson insulators are noninteracting disordered systems which have localized single-particle eigenstates. The interacting analog of Anderson insulators are the many-body localized (MBL) phases. The spectrum of the many-body eigenstates of an Anderson insulator is efficiently represented as a set of product states over the single-particle modes. Here, we show that product states over matrix product operators of small bond dimension is the corresponding efficient description of the spectrum of an MBL insulator. In this language all of the many-body eigenstates are encoded by matrix product states (i.e., density matrix renormalization group wave functions) consisting of only two sets of low bond dimension matrices per site: the G i matrices corresponding to the local ground state on site i and the E i matrices corresponding to the local excited state. All 2 n eigenstates can be generated from all possible combinations of these sets of matrices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Intertwined order in a frustrated four-leg t - J cylinder

Here, we report a density-matrix renormalization group study of the t–J model with nearest (t 1 and J 1 ) and next-nearest (t 2 and J 2 ) interactions on a four-leg cylinder with concentration δ=1/8 of doped holes. We observe an astonishingly complex interplay between uniform d-wave superconductivity (SC) and strong spin and charge-density wave ordering tendencies (SDW and CDW). Depending on parameters, the CDWs can be commensurate with period 4 or 8. By comparing the charge ordering vectors with 2k F , we rule out Fermi surface nesting-induced density wave order in our model. Magnetic frustration (i.e., J 2 /J 1 ~1/2) significantly quenches SDW correlations with little effect on the CDW. Typically, the SC order is strongly modulated at the CDW ordering vector and exhibits d-wave symmetry around the cylinder. There is no evidence of a near-degenerate tendency to pair-density wave (PDW) ordering, charge 4e SC, or orbital current order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Non-Abelian 𝜈 =$\frac{1}{2}$ quantum Hall state in $Γ$ 8 valence band hole liquid

In the search for states with non-Abelian statistics, we explore the fractional quantum Hall effect in a system of two-dimensional (2D) charge carrier holes. We propose a method of mapping states of holes confined to a finite width quantum well in a perpendicular magnetic field to states in a spherical shell geometry. We take into account strong coupling between the spin and motion of charge parallel and perpendicular to the 2D layer. This method gives the single-particle hole states used in the exact diagonalization of systems with a small number of holes in the presence of Coulomb interactions, density matrix renormalization group, and topological entanglement entropy calculations. Furthermore, the hole quantum Hall state at half filling of the ground state in a magnetic field near the crossing of single-hole states is likely the Moore-Read Pfaffian state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗