arXiv subjects

Andreas Weichselbaum

Publications and source records attributed to Andreas Weichselbaum.

At least 37 records · Page 2Linked to original sources

arXiv2020

Quantum Many-Body Simulations of the 2D Fermi-Hubbard Model in Ultracold Optical Lattices

Understanding quantum many-body states of correlated electrons is one main theme in modern condensed matter physics. Given that the Fermi-Hubbard model, the prototype of correlated electrons, has been recently realized in ultracold optical lattices, it is highly desirable to have controlled numerical methodology to provide precise finite-temperature results upon doping, to directly compare with experiments. Here, we demonstrate the exponential tensor renormalization group (XTRG) algorithm [Phys. Rev. X 8, 031082 (2018)], complemented with independent determinant quantum Monte Carlo (DQMC) offer a powerful combination of tools for this purpose. XTRG provides full and accurate access to the density matrix and thus various spin and charge correlations, down to unprecedented low temperature of few percents of the fermion tunneling energy scale. We observe excellent agreement with ultracold fermion measurements at both half-filling and finite-doping, including the sign-reversal behavior in spin correlations due to formation of magnetic polarons, and the attractive hole-doublon and repulsive hole-hole pairs that are responsible for the peculiar bunching and antibunching behavior of the antimoments.

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arXiv2020

iPEPS study of spin symmetry in the doped $t$-$J$ model

We study the two-dimensional $t$-$J$ model on a square lattice using infinite projected entangled pair states (iPEPS). At small doping, multiple orders, such as antiferromagnetic order, stripe order and superconducting order, are intertwined or compete with each other. We demonstrate the role of spin symmetry at small doping by either imposing SU(2) spin symmetry or its U(1) subgroup in the iPEPS ansatz, thereby excluding or allowing spontaneous spin-symmetry breaking respectively in the thermodynamic limit. From a detailed comparison of our simulations, we provide evidence that stripe order is pinned by long-range antiferromagnetic order. We also find that SU(2) iPEPS, which enforces a spin-singlet state, yields a uniform charge distribution and favors d-wave singlet pairing.

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arXiv2020

Renormalized Lindblad Driving: A Numerically-Exact Nonequilibrium Quantum Impurity Solver

The accurate characterization of nonequilibrium strongly-correlated quantum systems has been a longstanding challenge in many-body physics. Notable among them are quantum impurity models, which appear in various nanoelectronic and quantum computing applications. Despite their seeming simplicity, they feature correlated phenomena, including emergent energy scales and non-Fermi-liquid physics, requiring renormalization group treatment. This has typically been at odds with the description of their nonequilibrium steady-state under finite bias, which exposes their nature as open quantum systems. We present a novel numerically-exact method for obtaining the nonequilibrium state of a general quantum impurity coupled to metallic leads at arbitrary voltage or temperature bias, which we call "RL-NESS" (Renormalized Lindblad-driven NonEquilibrium Steady-State). It is based on coherently coupling the impurity to discretized leads which are treated exactly. These leads are furthermore weakly coupled to reservoirs described by Lindblad dynamics which impose voltage or temperature bias. Going beyond previous attempts, we exploit a hybrid discretization scheme for the leads together with Wilson's numerical renormalization group, in order to probe exponentially small energy scales. The steady-state is then found by evolving a matrix-product density operator via real-time Lindblad dynamics, employing a dissipative generalization of the time-dependent density matrix renormalization group. In the long-time limit, this procedure converges to the steady-state at finite bond dimension due to the introduced dissipation, which bounds the growth of entanglement. We test the method against the exact solution of the noninteracting resonant level model. We demonstrate its power using an interacting two-level model, for which it correctly reproduces the known limits, and gives the full $I$-$V$ curve between them.

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arXiv2020

X-Symbols for Non-Abelian Symmetries in Tensor Networks

The full exploitation of non-abelian symmetries in tensor network states (TNS) derived from a given lattice Hamiltonian is highly attractive in various aspects. From a theoretical perspective, it can offer deep insights into the entanglement structure and quantum information content of strongly correlated quantum many-body states. From a practical perspective, it allows one to push numerical efficiency by orders of magnitude. Physical expectation values based on TNS require the full contraction of a given tensor network, with the elementary ingredient being a pairwise contraction. While well-established for no or just abelian symmetries, this can become quickly extremely involved and cumbersome for general non-abelian symmetries. As shown in this work, however, the latter can be tackled in a transparent and efficient manner by introducing so-called X-symbols which deal with the underlying pairwise contraction of generalized Clebsch-Gordan tensors (CGTs). These X-symbols can be computed deterministically once and for all, and hence also be tabulated. Akin to 6j-symbols, X-symbols are generally much smaller than their constituting CGTs. In applications, they solely affect the tensors of reduced matrix elements, and therefore, once tabulated, allow one to completely sidestep the explicit usage of CGTs, and thus to greatly increase numerical efficiency.

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arXiv2020

Orbital differentiation in Hund metals

Orbital differentiation is a common theme in multiorbital systems, yet a complete understanding of it is still missing. Here, we consider a minimal model for orbital differentiation in Hund metals with a highly accurate method: We use the numerical renormalization group as a real-frequency impurity solver for a dynamical mean-field study of three-orbital Hubbard models, where a crystal field shifts one orbital in energy. The individual phases are characterized with dynamic correlation functions and their relation to diverse Kondo temperatures. Upon approaching the orbital-selective Mott transition, we find a strongly suppressed spin coherence scale and uncover the emergence of a singular Fermi liquid and interband doublon-holon excitations. Our theory describes the diverse polarization-driven phenomena in the $t_{2g}$ bands of materials such as ruthenates and iron-based superconductors, and our methodological advances pave the way towards real-frequency analyses of strongly correlated materials.

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arXiv2019

Thermal Tensor Renormalization Group Simulations of Square-Lattice Quantum Spin Models

In this work, we benchmark the well-controlled and numerically accurate exponential thermal tensor renormalization group (XTRG) in the simulation of interacting spin models in two dimensions. Finite temperature introduces a thermal correlation length, which justifies the analysis of finite system size for the sake of numerical efficiency. In this paper we focus on the square lattice Heisenberg antiferromagnet (SLH) and quantum Ising models (QIM) on open and cylindrical geometries up to width $W=10$. We explore various one-dimensional mapping paths in the matrix product operator (MPO) representation, whose performance is clearly shown to be geometry dependent. We benchmark against quantum Monte Carlo (QMC) data, yet also the series-expansion thermal tensor network results. Thermal properties including the internal energy, specific heat, and spin structure factors, etc., are computed with high precision, obtaining excellent agreement with QMC results. XTRG also allows us to reach remarkably low temperatures. For SLH we obtain at low temperature an energy per site $u_g^*\simeq -0.6694(4)$ and a spontaneous magnetization $m_S^*\simeq0.30(1)$, which is already consistent with the ground state properties. We extract an exponential divergence vs. $T$ of the structure factor $S(M)$, as well as the correlation length $ξ$, at the ordering wave vector $M=(π,π)$, which represents the renormalized classical behavior and can be observed over a narrow but appreciable temperature window, by analysing the finite-size data by XTRG simulations. For the QIM with a finite-temperature phase transition, we employ several thermal quantities, including the specific heat, Binder ratio, as well as the MPO entanglement to determine the critical temperature $T_c$.

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arXiv2019

Two-temperature scales in the triangular-lattice Heisenberg antiferromagnet

The anomalous thermodynamic properties of the paradigmatic frustrated spin-1/2 triangular lattice Heisenberg antiferromagnet (TLH) has remained an open topic of research over decades, both experimentally and theoretically. Here we further the theoretical understanding based on the recently developed, powerful exponential tensor renormalization group (XTRG) method on cylinders and stripes in a quasi one-dimensional (1D) setup, as well as a tensor product operator approach directly in 2D. The observed thermal properties of the TLH are in excellent agreement with two recent experimental measurements on the virtually ideal TLH material Ba$_8$CoNb$_6$O$_{24}$. Remarkably, our numerical simulations reveal two crossover temperature scales, at $T_l/J \sim 0.20$ and $T_h/J\sim 0.55$, with $J$ the Heisenberg exchange coupling, which are also confirmed by a more careful inspection of the experimental data. We propose that in the intermediate regime between the low-temperature scale $T_l$ and the higher one $T_h$, the gapped "roton-like" excitations are activated with a strong chiral component and a large contribution to thermal entropies, which suppress the incipient 120$^\circ$ order that emerges for temperatures below $T_l$.

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arXiv2019

Signatures of Mottness and Hundness in archetypal correlated metals

Physical properties of multi-orbital materials depend not only on the strength of the effective interactions among the valence electrons but also on their type. Strong correlations are caused by either Mott physics that captures the Coulomb repulsion among charges, or Hund physics that aligns the spins in different orbitals. We identify four energy scales marking the onset and the completion of screening in orbital and spin channels. The differences in these scales, which are manifest in the temperature dependence of the local spectrum and of the charge, spin and orbital susceptibilities, provide clear signatures distinguishing Mott and Hund physics. We illustrate these concepts with realistic studies of two archetypal strongly correlated materials, and corroborate the generality of our conclusions with a model Hamiltonian study.

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arXiv2019

Nonequilibrium Steady-State Transport in Quantum Impurity Models: a Thermofield and Quantum Quench Approach using Matrix Product States

The numerical renormalization group (NRG) is tailored to describe interacting impurity models in equilibrium, but faces limitations for steady-state nonequilibrium, arising, e.g., due to an applied bias voltage. We show that these limitations can be overcome by describing the thermal leads using a thermofield approach, integrating out high energy modes using NRG, and then treating the nonequilibrium dynamics at low energies using a quench protocol, implemented using the time-dependent density matrix renormalization group (tDMRG). This yields quantitatively reliable results for the current (with errors $\lesssim 3\%$) down to the exponentially small energy scales characteristic of impurity models. We present results of benchmark quality for the temperature and magnetic field dependence of the zero-bias conductance peak for the single-impurity Anderson model.

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arXiv2018

Hundness versus Mottness in a three-band Hubbard-Hund model: On the origin of strong correlations in Hund metals

Hund metals are multi-orbital systems with moderate Coulomb interaction, $U$, and sizeable Hund's rule coupling, $J<U$, that aligns the spins in different orbitals. They show strong correlation effects, like very low Fermi-liquid coherence scales and intriguing incoherent transport regimes, resulting in bad metallic behavior. But to what extent are these strong correlations governed by Mottness, i.e. the blocking of charge fluctuations close to a Mott insulator transition (MIT) induced by $U$, or by Hundness, a new route towards strong correlations induced by $J$? To answer this question, we study the full phase diagram of a degenerate three-band Hubbard-Hund model on a Bethe lattice at zero temperature using single-site DMFT and the numerical renormalization group as efficient real-frequency multi-band impurity solver. Hund metal behavior occurs in this minimal model for a filling close to $n_d=2$, moderate $U$ and sizeable $J$, the "Hund-metal regime", with strong correlations manifest by a low quasiparticle weight, $Z$. We show that "spin-orbital separation" (SOS) is a generic $J$-induced feature in the whole metallic regime of the phase diagram for $1<n_d<3$ and sizeable $J$: orbital screening occurs at much higher energies than spin screening, below which Fermi-liquid behavior sets in. The low $Z$ can then be explained in terms of the $J$-reduced Fermi-liquid scale. We further show that, in the Hund-metal regime, far from any MIT, Hundness -- the localization of large spins -- is the key player to induce strong correlations. There, physical properties are governed by a broad incoherent energy regime of SOS with intriguing Hund metal physics: large, almost unscreened spins are coupled to screened orbital degrees of freedom.

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arXiv2018

Non-Topological Majorana Zero Modes in Inhomogeneous Spin Ladders

We show that the coupling of homogeneous Heisenberg spin-1/2 ladders in different phases leads to the formation of interfacial zero energy Majorana bound states. Unlike Majorana bound states at the interfaces of topological quantum wires, these states are void of topological protection and generally susceptible to local perturbations of the host spin system. However, a key message of our work is that in practice they show a high degree of resilience over wide parameter ranges which may make them interesting candidates for applications.

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arXiv2018

Exponential Thermal Tensor Network Approach for Quantum Lattice Models

We speed up thermal simulations of quantum many-body systems in both one- (1D) and two-dimensional (2D) models in an exponential way by iteratively projecting the thermal density matrix $\hatρ=e^{-β\hat{H}}$ onto itself. We refer to this scheme of doubling $β$ in each step of the imaginary time evolution as the exponential tensor renormalization group (XTRG). This approach is in stark contrast to conventional Trotter-Suzuki-type methods which evolve $\hatρ$ on a linear quasi-continuous grid in inverse temperature $β\equiv 1/T$. In general, XTRG can reach low temperatures exponentially fast, and thus not only saves computational time but also merits better accuracy due to significantly fewer truncation steps. We work in an (effective) 1D setting exploiting matrix product operators (MPOs) which allows us to fully and uniquely implement non-Abelian and Abelian symmetries to greatly enhance numerical performance. We use our XTRG machinery to explore the thermal properties of Heisenberg models on 1D chains and 2D square and triangular lattices down to low temperatures approaching ground state properties. The entanglement properties, as well as the renormalization group flow of entanglement spectra in MPOs, are discussed, where logarithmic entropies (approximately $\lnβ$) are shown in both spin chains and square lattice models with gapless towers of states. We also reveal that XTRG can be employed to accurately simulate the Heisenberg XXZ model on the square lattice which undergoes a thermal phase transition. We determine its critical temperature based on thermal physical observables, as well as entanglement measures. Overall, we demonstrate that XTRG provides an elegant, versatile, and highly competitive approach to explore thermal properties in both 1D and 2D quantum lattice models.

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arXiv2018

At which magnetic field, exactly, does the Kondo resonance begin to split? A Fermi liquid description of the low-energy properties of the Anderson model

This paper is a corrected version of Phys. Rev. B 95, 165404 (2017), which we have retracted because it contained a trivial but fatal sign error that lead to incorrect conclusions. --- We extend a recently-eveloped Fermi-liquid (FL) theory for the asymmetric single-impurity Anderson model [C. Mora $et al.$, Phys. Rev. B, 92, 075120 (2015)] to the case of an arbitrary local magnetic field. To describe the system's low-lying quasiparticle excitations for arbitrary values of the bare Hamiltonian's model parameters, we construct an effective low-energy FL Hamiltonian whose FL parameters are expressed in terms of the local level's spin-dependent ground-state occupations and their derivatives with respect to level energy and local magnetic field. These quantities are calculable with excellent accuracy from the Bethe Ansatz solution of the Anderson model. Applying this effective model to a quantum dot in a nonequilibrium setting, we obtain exact results for the curvature of the spectral function, $c_A$, describing its leading $\sim\varepsilon^2$ term, and the transport coefficients $c_V$ and $c_T$, describing the leading $\sim V^2$ and $\sim T^2$ terms in the nonlinear differential conductance. A sign change in $c_A$ or $c_V$ is indicative of a change from a local maximum to a local minimum in the spectral function or nonlinear conductance, respectively, as is expected to occur when an increasing magnetic field causes the Kondo resonance to split into two subpeaks. We find that the fields $B_A$, $B_T$ and $B_V$ at which $c_A$, $c_T$ and $c_V$ change sign, respectively, are all of order $T_K$, as expected, with $B_A = B_T = B_V = 0.75073\,T_K$ in the Kondo limit.

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arXiv2018

Unified Phase Diagram of Antiferromagnetic SU(N) Spin Ladders

Motivated by near-term experiments with ultracold alkaline-earth atoms confined to optical lattices, we establish numerically and analytically the phase diagram of two-leg SU($N$) spin ladders. Two-leg ladders provide a rich and highly non-trivial extension of the single chain case on the way towards the relatively little explored two dimensional situation. Focusing on the experimentally relevant limit of one fermion per site, antiferromagnetic exchange interactions, and $2\leq N \leq 6$, we show that the phase diagrams as a function of the interchain (rung) to intrachain (leg) coupling ratio $J_\perp/J_\Vert$ strongly differ for even vs. odd $N$. For even $N=4$ and 6, we demonstrate that the phase diagram consists of a single valence bond crystal (VBC) with a spatial period of $N/2$ rungs. For odd $N=3$ and 5, we find surprisingly rich phase diagrams exhibiting three distinct phases. For weak rung coupling, we obtain a VBC with a spatial period of $N$ rungs, whereas for strong coupling we obtain a critical phase related to the case of a single chain. In addition, we encounter intermediate phases for odd $N$, albeit of a different nature for $N=3$ as compared to $N=5$. For $N=3$, we find a novel gapless intermediate phase with $J_\perp$-dependent incommensurate spatial fluctuations in a sizeable region of the phase diagram. For $N=5$, there are strong indications for a narrow potentially gapped intermediate phase, whose nature is not entirely clear.

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arXiv2018

Emergent spin-1 trimerized valence bond crystal in the spin-1/2 Heisenberg model on the star lattice

We explore the frustrated spin-$1/2$ Heisenberg model on the star lattice with antiferromagnetic (AF) couplings inside each triangle and ferromagnetic (FM) inter-triangle couplings ($J_e<0$), and calculate its magnetic and thermodynamic properties. We show that the FM couplings do not sabotage the magnetic disordering of the ground state due to the frustration from the AF interactions inside each triangle, but trigger a fully gapped inversion-symmetry-breaking trimerized valence bond crystal (TVBC) with emergent spin-1 degrees of freedom. We discover that with strengthening $J_e$, the system scales exponentially, either with or without a magnetic field $h$: the order parameter, the five critical fields that separate the $J_e$-$h$ ground-state phase diagram into six phases, and the excitation gap obtained by low-temperature specific heat, all depend exponentially on $J_e$. We calculate the temperature dependence of the specific heat, which can be directly compared with future experiments.

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arXiv2017

Generalized Schrieffer-Wolff transformation of multi-flavor Hubbard models

We give a self-contained derivation of the low-energy effective interactions of the SU($N$) Hubbard model, a multiflavor generalization of the one-band Hubbard model, by using a generalized Schrieffer-Wolff transformation (SWT). The effective interaction of doublons and holons, which has been largely ignored in previous SWT studies (e.g., the $t$-$J$ model), leads to distinct peaks in the local density of states. As shown by Lee et al. [Phys. Rev. Lett. 119, 236402 (2017)], this underlying effective doublon-holon interaction explains the numerical observation of the subpeaks at the inner edges of the Hubbard bands in the metallic phase close to the Mott transition.

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arXiv2017

Doublon-holon origin of the subpeaks at the Hubbard band edges

Dynamical mean-field theory (DMFT) studies frequently observe a fine structure in the local spectral function of the SU(2) Fermi-Hubbard model at half filling: In the metallic phase close to the Mott transition, subpeaks emerge at the inner edges of the Hubbard bands. Here we demonstrate that these subpeaks originate from the low-energy effective interaction of doublon-holon pairs, by investigating how the correlation functions of doublon and holon operators contribute to the subpeaks. A mean-field analysis of the low-energy effective Hamiltonian provides results consistent with our DMFT calculation using the numerical renormalization group as an impurity solver. In the SU(3) and SU(4) Hubbard models, the subpeaks become more pronounced due to the increased degeneracy of doublon-holon pair excitations.

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arXiv2017

Filling-driven Mott transition in SU(N) Hubbard models

We study the filling-driven Mott transition involving the metallic and paramagnetic insulating phases in SU(N) Fermi-Hubbard models, using dynamical mean-field theory (DMFT) and the numerical renormalization group (NRG) as impurity solver. The compressibility shows a striking temperature dependence: near the critical temperature, it is strongly enhanced in the metallic phase close to the insulating phase. We demonstrate that this compressibility enhancement is associated with the thermal suppression of the quasiparticle peak in the local spectral functions. We also explain that the asymmetric shape of the quasiparticle peak originates from the asymmetry in the underlying doublon-holon dynamics.

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