arXiv subjects

Andreas Weichselbaum

Publications and source records attributed to Andreas Weichselbaum.

At least 55 records · Page 3Linked to original sources

arXiv2017

Adaptive broadening to improve spectral resolution in the numerical renormalization group

We propose an adaptive scheme of broadening the discrete spectral data from numerical renormalization group (NRG) calculations to improve the resolution of dynamical properties at finite energies. While the conventional scheme overbroadens narrow features at large frequency by broadening discrete weights with constant width in log-frequency, our scheme broadens each discrete contribution individually based on its sensitivity to a z-shift in the logarithmic discretization intervals. We demonstrate that the adaptive broadening better resolves various features in non-interacting and interacting models at comparable computational cost. The resolution enhancement is more significant for coarser discretization as typically required in multi-band calculations. At low frequency below the energy scale of temperature, the discrete NRG data necessarily needs to be broadened on a linear scale. Here we provide a method that minimizes transition artefacts in between these broadening kernels.

cond-mat.mes-hall↗

arXiv2017

Open Wilson chains for quantum impurity models: Keeping track of all bath modes

When constructing a Wilson chain to represent a quantum impurity model, the effects of truncated bath modes are neglected. We show that their influence can be kept track of systematically by constructing an "open Wilson chain" in which each site is coupled to a separate effective bath of its own. As a first application, we use the method to cure the so-called mass-flow problem that can arise when using standard Wilson chains to treat impurity models with asymmetric bath spectral functions at finite temperature. We demonstrate this for the strongly sub-Ohmic spin-boson model at quantum criticality where we directly observe the flow towards a Gaussian critical fixed point.

cond-mat.str-el↗

arXiv2016

Lindblad-Driven Discretized Leads for Non-Equilibrium Steady-State Transport in Quantum Impurity Models: Recovering the Continuum Limit

The description of interacting quantum impurity models in steady-state nonequilibrium is an open challenge for computational many-particle methods: the numerical requirement of using a finite number of lead levels and the physical requirement of describing a truly open quantum system are seemingly incompatible. One possibility to bridge this gap is the use of Lindblad-driven discretized leads (LDDL): one couples auxiliary continuous reservoirs to the discretized lead levels and represents these additional reservoirs by Lindblad terms in the Liouville equation. For quadratic models governed by Lindbladian dynamics, we present an elementary approach for obtaining correlation functions analytically. In a second part, we use this approach to explicitly discuss the conditions under which the continuum limit of the LDDL approach recovers the correct representation of thermal reservoirs. As an analytically solvable example, the nonequilibrium resonant level model is studied in greater detail. Lastly, we present ideas towards a numerical evaluation of the suggested Lindblad equation for interacting impurities based on matrix product states. In particular, we present a reformulation of the Lindblad equation, which has the useful property that the leads can be mapped onto a chain where both the Hamiltonian dynamics and the Lindblad driving are local at the same time. Moreover, we discuss the possibility to combine the Lindblad approach with a logarithmic discretization needed for the exploration of exponentially small energy scales.

cond-mat.str-el↗

arXiv2016

Dynamic structure factor of the spin-1/2 XXZ chain in a transverse field

The spin-$\frac{1}{2}$ XXZ chain with easy-plane anisotropy in a transverse field describes well the thermodynamic properties of the material ${\rm Cs_2CoCl_4}$ in a wide range of temperatures and fields including the region close to the spin-flop Ising quantum phase transition. For a comparison with prospective inelastic neutron scattering experiments on this compound, we present results of an extensive numerical study of its dynamic structure factor $\mathcal{S}^{αβ}(k,ω)$ using matrix-product-state (MPS) techniques. Close to criticality, the dynamic part of the correlator $\mathcal{S}^{xx}$ longitudinal to the applied field is incoherent and possesses a small total weight as the ground state is already close to saturation. The transverse correlator $\mathcal{S}^{zz}$, on the other hand, is dominated by a coherent single-particle excitation with additional spectral weight at higher energies that we tentatively attribute to a repulsively bound pair of particles. With increasing temperature, the latter quickly fades and spectral weight instead accumulates close to zero wavevector just above the single-particle energy. On a technical level, we compare the numerical efficiency of real-time evolution to an MPS-based Chebyshev expansion in the present context, finding that both methods yield results of similar quality at comparable numerical costs.

cond-mat.str-el↗

arXiv2015

Symmetric Minimally Entangled Typical Thermal States

We extend White's minimally entangled typically thermal states approach (METTS) to allow Abelian and non-Ablian symmetries to be exploited when computing finite-temperature response functions in one-dimensional (1D) quantum systems. Our approach, called SYMETTS, starts from a METTS sample of states that are not symmetry eigenstates, and generates from each a symmetry eigenstate. These symmetry states are then used to calculate dynamic response functions. SYMETTS is ideally suited to determine the low-temperature spectra of 1D quantum systems with high resolution. We employ this method to study a generalized diamond chain model for the natural mineral azurite Cu${}_3$(CO${}_3)_2$(OH$)_2$, which features a plateau at $\frac{1}{3}$ in the magnetization curve at low temperatures. Our calculations provide new insight into the effects of temperature on magnetization and excitation spectra in the plateau phase, which can be fully understood in terms of the microscopic model.

cond-mat.str-el↗

arXiv2015

Hexagon-singlet solid ansatz for the spin-1 kagome antiferromagnet

We perform a systematic investigation on the hexagon-singlet solid (HSS) states, which are a class of spin liquid candidates for the spin-1 kagome antiferromagnet. With the Schwinger boson representation, we show that all HSS states have exponentially decaying correlations and can be interpreted as a (special) subset of the resonating Affleck-Kennedy-Lieb-Tasaki (AKLT) loop states. We provide a compact tensor network representation of the HSS states, with which we are able to calculate physical observables efficiently. We find that the HSS states have vanishing topological entanglement entropy, suggesting the absence of intrinsic topological order. We also employ the HSS states to perform a variational study of the spin-1 kagome Heisenberg antiferromagnetic model. When we use a restricted HSS ansatz preserving lattice symmetry, the best variational energy per site is found to be $e_0 = -1.3600$. In contrast, when allowing lattice symmetry breaking, we find a trimerized simplex valence bond crystal with a lower energy, $e_0=-1.3871$.

cond-mat.str-el↗

arXiv2015

Simplex valence-bond crystal in the spin-1 kagome Heisenberg antiferromagnet

We investigate the ground state properties of a spin-1 kagome antiferromagnetic Heisenberg model using tensor-network (TN) methods. We obtain the energy per site {$e_0=-1.41090(2)$ with $D^*=8$ multiplets retained (i.e., a bond dimension of $D=24$), and $e_0=-1.4116(4)$ from large-$D$ extrapolation,} by accurate TN calculations directly in the thermodynamic limit. The symmetry between the two kinds of triangles is spontaneously broken, with a relative energy difference of $δ\approx$ 19\%, i.e, there is a trimerization (simplex) valence-bond order in the ground state. The spin-spin, dimer-dimer, and chirality-chirality correlation functions are found to decay exponentially with a rather short correlation length, showing that the ground state is gapped. We thus identify the ground state be a simplex valence-bond crystal (SVBC). We also discuss the spin-1 bilinear-biquadratic Heisenberg model on a kagome lattice, and determine its ground state phase diagram. Moreover, we implement non-abelian symmetries, here spin SU(2), in the TN algorithm, which improves the efficiency greatly and provides insight into the tensor structures.

cond-mat.str-el↗

arXiv2014

Two-bath spin-boson model: Phase diagram and critical properties

The spin-boson model, describing a two-level system coupled to a bath of harmonic oscillators, is a generic model for quantum dissipation, with manifold applications. It has also been studied as a simple example for an impurity quantum phase transition. Here we present a detailed study of a U(1)-symmetric two-bath spin-boson model, where two different components of an SU(2) spin 1/2 are coupled to separate dissipative baths. Non-trivial physics arises from the competition of the two dissipation channels, resulting in a variety of phases and quantum phase transitions. We employ a combination of analytical and numerical techniques to determine the properties of both the stable phases and the quantum critical points. In particular, we find a critical intermediate-coupling phase which is bounded by a continuous quantum phase transition which violates the quantum-to-classical correspondence.

cond-mat.stat-mech↗

arXiv2014

Equilibrium Fermi-liquid coefficients for the fully screened N-channel Kondo model

We analytically and numerically compute three equilibrium Fermi-liquid coefficients of the fully screened $N$-channel Kondo model, namely $c_B$, $c_T$ and $c_\varepsilon$, characterizing the magnetic field and temperature dependence of the resisitivity, and the curvature of the equilibrium Kondo resonance, respectively. We present a compact, unified derivation of the $N$-dependence of these coefficients, combining elements from various previous treatments of this model. We numerically compute these coefficients using the numerical renormalization group, with non-Abelian symmetries implemented explicitly, finding agreement with Fermi-liquid predictions on the order of 5% or better.

cond-mat.str-el↗

arXiv2014

Non-Fermi liquid behaviour in non-equilibrium transport through Co doped Au chains connected to four-fold symmetric leads

We calculate the differential conductance as a function of temperature and bias voltage, $G(T,V)$, through Au monoatomic chains with a substitutional Co atom as a magnetic impurity, connected to a four-fold symmetric lead. The system was recently proposed as a possible scenario for observation of the overscreened Kondo physics. Stretching the chain, the system could be tuned through a quantum critical point (QCP) with three different regimes, overscreened, underscreened and non Kondo phases. We present calculations of the impurity spectral function by using the numerical renormalization group (NRG) for the three different regimes characterizing the QCP. Non trivial behaviour of the spectral function is reported near the QCP. Comparison with results using the non crossing approximation (NCA), shows that the latter is reliable in the overscreened regime, when the anisotropy is larger than the Kondo temperature. For these parameters, which correspond to realistic previous estimates, $G(T,V)$ calculated within NCA exhibits clear signatures of the non-Fermi liquid behaviour within the overscreened regime.

cond-mat.str-el↗

arXiv2014

Local susceptibility and Kondo scaling in the presence of finite bandwidth

The Kondo scale TK for impurity systems is expected to guarantee universal scaling of physical quantities. However, in practice, not every definition of TK necessarily supports this notion away from the strict scaling limit. Specifically, this paper addresses the role of finite bandwidth D in the strongly-correlated Kondo regime. For this, various theoretical definitions of TK are analyzed based on the inverse magnetic impurity susceptibility at zero temperature. While conventional definitions in that respect quickly fail to ensure universal Kondo scaling for all D, this paper proposes an altered definition of TK_{sc} that allows universal scaling of dynamical or thermal quantities for a given fixed Hamiltonian. If the scaling is performed with respect to an external parameter which directly enters the Hamiltonian, such as magnetic field, the corresponding TK_{sc;B} for universal scaling differs, yet becomes equivalent to TK_{sc} in the scaling limit. The only requirement for universal scaling in the full Kondo parameter regime with a residual error of less than 1% is a well-defined isolated Kondo feature with TK < 0.01D. By varying D over a wide range relative to the bare energies of the impurity, for example, this allows a smooth transition from the Anderson to the Kondo model.

cond-mat.str-el↗

arXiv2014

Identifying Symmetry-Protected Topological Order by Entanglement Entropy

According to the classification using projective representations of the SO(3) group, there exist two topologically distinct gapped phases in spin-1 chains. The symmetry-protected topological (SPT) phase possesses half-integer projective representations of the SO(3) group, while the trivial phase possesses integer linear representations. In the present work, we implement non-Abelian symmetries in the density matrix renormalization group (DMRG) method, allowing us to keep track of (and also control) the virtual bond representations, and to readily distinguish the SPT phase from the trivial one by evaluating the multiplet entanglement spectrum. In particular, using the entropies $S^I$ ($S^H$) of integer (half-integer) representations, we can define an entanglement gap $G = S^I - S^H$, which equals 1 in the SPT phase, and $-1$ in the trivial phase. As application of our proposal, we study the spin-1 models on various 1D and quasi-1D lattices, including the bilinear-biquadratic model on the single chain, and the Heisenberg model on a two-leg ladder and a three-leg tube. Among others, we confirm the existence of an SPT phase in the spin-1 tube model, and reveal that the phase transition between the SPT and the trivial phase is a continuous one. The transition point is found to be critical, with conformal central charge $c=3$ determined by fits to the block entanglement entropy.

cond-mat.str-el↗

arXiv2012

Non-abelian symmetries in tensor networks: a quantum symmetry space approach

A general framework for non-abelian symmetries is presented for matrix-product and tensor-network states in the presence of orthonormal local as well as effective basis sets. The two crucial ingredients, the Clebsch-Gordan algebra for multiplet spaces as well as the Wigner-Eckart theorem for operators, are accounted for in a natural, well-organized, and computationally straightforward way. The unifying tensor-representation for quantum symmetry spaces, dubbed QSpace, is particularly suitable to deal with standard renormalization group algorithms such as the numerical renormalization group (NRG), the density matrix renormalization group (DMRG), or also more general tensor networks such as the multi-scale entanglement renormalization ansatz (MERA). In this paper, the focus is on the application of the non-abelian framework within the NRG. A detailed analysis is given for a fully screened spin-3/2 three-channel Anderson impurity model in the presence of conservation of total spin, particle-hole symmetry, and SU(3) channel symmetry. The same system is analyzed using several alternative symmetry scenarios. This includes the more traditional symmetry setting SU(2)^4, the larger symmetry SU(2)*U(1)*SU(3), and their much larger enveloping symplectic symmetry SU(2)*Sp(6). These are compared in detail, including their respective dramatic gain in numerical efficiency. In the appendix, finally, an extensive introduction to non-abelian symmetries is given for practical applications, together with simple self-contained numerical procedures to obtain Clebsch-Gordan coefficients and irreducible operators sets. The resulting QSpace tensors can deal with any set of abelian symmetries together with arbitrary non-abelian symmetries with compact, i.e. finite-dimensional, semi-simple Lie algebras.

cond-mat.str-el↗

arXiv2012

Tensor networks and the numerical renormalization group

The full-density-matrix numerical renormalization group (NRG) has evolved as a systematic and transparent setting for the cal- culation of thermodynamical quantities at arbitrary temperatures within the NRG framework. It directly evaluates the relevant Lehmann representations based on the complete basis sets intro- duced by Anders and Schiller (2005). In addition, specific attention is given to the possible feedback from low energy physics to high energies by the explicit and careful construction of the full thermal density matrix, naturally generated over a distribution of energy shells. Specific examples are given in terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG), Fermi-Golden rule calculations (fgrNRG), as well as the calculation of plain thermodynamic expectation values. Furthermore, based on the very fact that, by its iterative nature, the NRG eigenstates are naturally described in terms of matrix product states, the language of tensor networks has proven enormously convenient in the description of the underlying algorithmic procedures. This paper therefore also provides a detailed introduction and discussion of the prototypical NRG calculations in terms of their corresponding tensor networks.

cond-mat.str-el↗

arXiv2012

Critical and strong-coupling phases in one- and two-bath spin-boson models

For phase transitions in dissipative quantum impurity models, the existence of a quantum-to-classical correspondence has been discussed extensively. We introduce a variational matrix product state approach involving an optimized boson basis, rendering possible high-accuracy numerical studies across the entire phase diagram. For the sub-ohmic spin-boson model with a power-law bath spectrum $\propto \w^s$, we confirm classical mean-field behavior for $s<1/2$, correcting earlier numerical renormalization-group results. We also provide the first results for an XY-symmetric model of a spin coupled to two competing bosonic baths, where we find a rich phase diagram, including both critical and strong-coupling phases for $s<1$, different from that of classical spin chains. This illustrates that symmetries are decisive for whether or not a quantum-to-classical correspondence exists.

cond-mat.stat-mech↗

arXiv2012

Spin-1/2 Kondo effect in an InAs nanowire quantum dot: the Unitary limit, conductance scaling and Zeeman splitting

We report on a comprehensive study of spin-1/2 Kondo effect in a strongly-coupled quantum dot realized in a high-quality InAs nanowire. The nanowire quantum dot is relatively symmetrically coupled to its two leads, so the Kondo effect reaches the Unitary limit. The measured Kondo conductance demonstrates scaling with temperature, Zeeman magnetic field, and out-of-equilibrium bias. The suppression of the Kondo conductance with magnetic field is much stronger than would be expected based on a g-factor extracted from Zeeman splitting of the Kondo peak. This may be related to strong spin-orbit coupling in InAs.

cond-mat.mes-hall↗

arXiv2011

Incommensurate correlations in the anisotropic triangular Heisenberg lattice

We study the anisotropic spin-half antiferromagnetic triangular Heisenberg lattice in two dimensions, seen as a set of chains with couplings J (J') along (in between) chains, respectively. Our focus is on the incommensurate correlation that emerges in this system in a wide parameter range due to the intrinsic frustration of the spins. We study this system with traditional DMRG using cylindrical boundary conditions to least constrain possible incommensurate order. Despite that the limit of essentially decoupled chains J'/J < 0.5 is not very accessible numerically, it appears that the spin-spin correlations remain incommensurate for any finite 0 < J' < Jc', where Jc'/J > 1. The incommensurate wave vector q_J, however, approaches the commensurate value corresponding to the antiferromagnetic correlation of a single chain very rapidly with decreasing J'/J, roughly as q_J ~ pi - c_1 (J'/J)^n exp(-c_2 J/J').

cond-mat.str-el↗

arXiv2011

Discarded weight and entanglement spectra in the Numerical Renormalization Group

A quantitative criterion to prove and analyze convergence within the numerical renormalization group (NRG) is introduced. By tracing out a few further NRG shells, the resulting reduced density matrices carry relevant information on numerical accuracy as well as entanglement. Their spectra can thus be analyzed twofold. The smallest eigenvalues provide a sensitive estimate of how much weight is discarded in the low energy description of later iterations. As such, the discarded weight is a clear indicator of the accuracy of a specific NRG calculation. In particular, it indicates in a site-specific manner whether sufficiently many states have been kept within a single NRG run. The largest eigenvalues of the reduced density matrices, on the other hand, lend themselves to a straightforward analysis in terms of entanglement spectra, which can be combined into entanglement flow diagrams. The latter show strong similarities with the well-known standard energy flow diagram of the NRG, supporting the prevalent usage of entanglement spectra to characterize different physical regimes.

cond-mat.str-el↗