arXiv subjects

Jacek Herbrych

Publications and source records attributed to Jacek Herbrych.

At least 19 recordsLinked to original sources

arXiv2026

Electronic correlations driving Chirality-Induced Spin Selectivity

We explicitly account for electron-electron interactions when modeling low-dimensional helical organic molecules. We show that competition between various hopping channels, together with interaction-induced double- and superexchange mechanisms, can stabilize non-collinear helical magnetic order. The resulting single-electron bands exhibit partial spin polarization, a manifestation of $p$-wave magnetism. Using density-matrix renormalization group, cluster perturbation theory, and Monte Carlo methods, we find that even vanishingly small spin-orbit coupling triggers strong spin selectivity at temperatures significantly above the spin-orbit scale. While strong correlations are essential for this mechanism, long-range spin ordering is not required. We thus propose non-collinear spin correlations driven by Coulomb interactions as an explanation of chirality-induced spin selectivity and discuss connections to experiments.

cond-mat.str-el↗

arXiv2026

Boundary-driven magnetization transport in the spin-$1/2$ XXZ chain: Role of the system-bath coupling strength and timescales

Understanding the transport properties of quantum many-body systems is a central challenge in condensed matter and statistical physics. Theoretical studies usually rely on two main approaches: Dynamics of linear-response functions in closed systems and boundary-driven dynamics governed by Markovian master equations for open systems. While the equivalence of their dynamical behavior has been explored in recent studies, a systematic comparison of the transport coefficients obtained from these two classes of approaches remains a largely open question. Here, we address this gap by comparing and contrasting the dc diffusion constant $\mathcal{D}_{\text{dc}}$ according to the two approaches, focusing on the specific example of magnetization transport in the spin-$1/2$ XXZ chain. Using exact numerical simulations for finite system sizes, we find (i) a clear mismatch between the two $\mathcal{D}_{\text{dc}}$ and (ii) a strong dependence of $\mathcal{D}_{\text{dc}}$ on the system-bath coupling strength for the open system, where neither (i) nor (ii) tend to vanish in the thermodynamic limit. These findings suggest limitations of the open-system approach to transport coefficients. To gain insight into the origin of (i) and (ii), we go beyond $\mathcal{D}_{\text{dc}}$ and analyze the full time dependence of the diffusion coefficient $D(t)$ in the open system. In this way, we find that both (i) and (ii) vanish up to a finite time scale. While this time scale gradually increases with system size and tends to be macroscopic in the thermodynamic limit, this increase is still slow compared to the increase of the time to reach the steady state, where (i) and (ii) do not vanish. This observation can be seen as a wrong, yet unavoidable order of limits of long times first and large system sizes afterwards.

cond-mat.stat-mech↗

arXiv2025

Tunable Hilbert space fragmentation and extended critical regime

Systems exhibiting the Hilbert-space fragmentation are nonergodic, and their Hamiltonians decompose into exponentially many blocks in the computational basis. In many cases, these blocks can be labeled by eigenvalues of statistically localized integrals of motion (SLIOM), which play a similar role in fragmented systems as local integrals of motion in integrable systems. While a nonzero perturbation eliminates all nontrivial conserved quantities from integrable models, we demonstrate for the $t$-$J_z$ chain that an appropriately chosen perturbation may gradually eliminate SLIOMs (one by one) by progressively merging the fragmented subspaces. This gradual recovery of ergodicity manifests as an extended critical regime characterized by multiple peaks of the fidelity susceptibility. Each peak signals a change in the number of SLIOMs and blocks, as well as an ultra-slow relaxation of local observables.

cond-mat.str-el↗

arXiv2024

Luther-Emery liquid and dominant singlet superconductivity in the hole-doped Haldane spin-1 chain

We investigate the pairing tendencies in the hole-doped Haldane spin-1 chain. To allow for doping, we extend the original spin chain Hamiltonian into a fermionic model involving a two-orbital Hubbard chain at intermediate or strong repulsive interaction strengths $U$, and for degenerate orbitals. At half-filling and large $U$, the ferromagnetic Hund's coupling, $J_\mathrm{H}$, generates effective spin-$1$ moments, with antiferromagnetic correlations between sites. Using large-scale density matrix renormalization group calculations, we study accurately the system's behavior under light hole-doping. For $U=1.6$ in units of the non-interacting bandwidth and for $J_\mathrm{H}/U\gtrsim 0.275$ we find that singlet pairing dominates the long-distance physics, establishing this system as a promising platform for repulsively mediated superconductivity. We provide concrete examples of materials that could realize the physics described here. We also provide evidence that the system approaches a Luther-Emery liquid state at large system sizes, reminiscent of the behavior of doped one-orbital two-leg ladders at weak coupling, which also have superconducting tendencies. The numerically calculated central charge approaches one in the thermodynamic limit, indicating a single gapless mode as is expected for the Luther-Emery state. Exponents characterizing the power-law decays of singlet pair-pair and charge density-density correlations are determined, and found to approximately satisfy the Luther-Emery identity.

cond-mat.str-el↗

arXiv2024

Lindblad dynamics from spatio-temporal correlation functions in nonintegrable spin-1/2 chains with different boundary conditions

We investigate the Lindblad equation in the context of boundary-driven magnetization transport in spin-$1/2$ chains. Our central question is whether the nonequilibrium steady state of the open system, including its buildup in time, can be described on the basis of the dynamics in the closed system. To this end, we rely on a previous work [Phys. Rev. B 108, L201119 (2023)], where a description in terms of spatio-temporal correlation functions has been suggested in the case of weak driving and small system-bath coupling. Because this work has focused on integrable systems and periodic boundary conditions, we here extend the analysis in three directions: We (i) consider nonintegrable systems, (ii) take into account open boundary conditions and other bath-coupling geometries, and (iii) provide a comparison to time-evolving block decimation. While we find that nonintegrability plays a minor role, the choice of the specific boundary conditions can be crucial, due to potentially nondecaying edge modes. Our large-scale numerical simulations suggest that a description based on closed-system correlation functions is an useful alternative to already existing state-of-the-art approaches.

cond-mat.stat-mech↗

arXiv2023

Spin-1/2 XXZ chain coupled to two Lindblad baths: Constructing nonequilibrium steady states from equilibrium correlation functions

State-of-the-art approaches to extract transport coefficients of many-body quantum systems broadly fall into two categories: (i) they target the linear-response regime in terms of equilibrium correlation functions of the closed system; or (ii) they consider an open-system situation typically modeled by a Lindblad equation, where a nonequilibrium steady state emerges from driving the system at its boundaries. While quantitative agreement between (i) and (ii) has been found for selected model and parameter choices, also disagreement has been pointed out in the literature. Studying magnetization transport in the spin-1/2 XXZ chain, we here demonstrate that at weak driving, the nonequilibrium steady state in an open system, including its buildup in time, can remarkably be constructed just on the basis of correlation functions in the closed system. We numerically illustrate this direct correspondence of closed-system and open-system dynamics, and show that it allows the treatment of comparatively large open systems, usually only accessible to matrix product state simulations. We also point out potential pitfalls when extracting transport coefficients from nonequilibrium steady states in finite systems.

cond-mat.stat-mech↗

arXiv2023

Real-time broadening of bath-induced density profiles from closed-system correlation functions

The Lindblad master equation is one of the main approaches to open quantum systems. While it has been widely applied in the context of condensed matter systems to study properties of steady states in the limit of long times, the actual route to such steady states has attracted less attention yet. Here, we investigate the nonequilibrium dynamics of spin chains with a local coupling to a single Lindblad bath and analyze the transport properties of the induced magnetization. Combining typicality and equilibration arguments with stochastic unraveling, we unveil for the case of weak driving that the dynamics in the open system can be constructed on the basis of correlation functions in the closed system, which establishes a connection between the Lindblad approach and linear response theory at finite times. In this way, we provide a particular example where closed and open approaches to quantum transport agree strictly. We demonstrate this fact numerically for the spin-1/2 XXZ chain at the isotropic point and in the easy-axis regime, where superdiffusive and diffusive scaling is observed, respectively.

cond-mat.stat-mech↗

arXiv2021

Prediction of orbital selective Mott phases and block magnetic states in the quasi-one-dimensional iron chain Ce$_2$O$_2$FeSe$_2$ under hole and electron doping

The recent detailed study of quasi-one-dimensional iron-based ladders, with the $3d$ iron electronic density $n = 6$, has unveiled surprises, such as orbital-selective phases. However, similar studies for $n=6$ iron chains are still rare. Here, a three-orbital electronic Hubbard model was constructed to study the magnetic and electronic properties of the quasi-one-dimensional $n=6$ iron chain Ce$_2$O$_2$FeSe$_2$, with focus on the effect of doping. Specifically, introducing the Hubbard $U$ and Hund $J_{H}$ couplings and studying the model via the density matrix renormalization group, we report the ground-state phase diagram varying the electronic density away from $n=6$. For the realistic Hund coupling $J_{H}/U = 1/4$, several electronic phases were obtained, including a metal, orbital-selective Mott, and Mott insulating phases. Doping away from the parent phase, the competition of many tendencies leads to a variety of magnetic states, such as ferromagnetism, as well as several antiferromagnetic and magnetic "block" phases. In the hole-doping region, two different interesting orbital-selective Mott phases were found: OSMP1 (with one localized orbital and two itinerant orbitals) and OSMP2 (with two localized orbitals and one itinerant orbital). Moreover, charge disproportionation phenomena were found in special doping regions. We argue that our predictions can be tested by simple modifications in the original chemical formula of Ce$_2$O$_2$FeSe$_2$.

cond-mat.str-el↗

arXiv2021

Magnetization dynamics fingerprints of an excitonic condensate $t_{2g}^{4}$ magnet

The competition between spin-orbit coupling $λ$ and electron-electron interaction $U$ leads to a plethora of novel states of matter, extensively studied in the context of $t_{2g}^4$ and $t_{2g}^5$ materials, such as ruthenates and iridates. Excitonic magnets -- the antiferromagnetic state of bounded electron-hole pairs -- is a prominent example of phenomena driven by those competing energy scales. Interestingly, recent theoretical studies predicted that excitonic magnets can be found in the ground-state of spin-orbit-coupled $t_{2g}^4$ Hubbard models. Here, we present a detailed computational study of the magnetic excitations in that excitonic magnet, employing one-dimensional chains (via density matrix renormalization group) and small two-dimensional clusters (via Lanczos). Specifically, first we show that the low-energy spectrum is dominated by a dispersive (acoustic) magnonic mode, with extra features arising from the $λ=0$ state in the phase diagram. Second, and more importantly, we found a novel magnetic excitation forming a high-energy optical mode with the highest intensity at wavevector $q\to 0$. In the excitonic condensation regime at large $U$, we also have found a novel high-energy $π$-mode composed solely of orbital excitations. These unique fingerprints of the $t_{2g}^4$ excitonic magnet are important in the analysis of neutron and RIXS experiments.

cond-mat.str-el↗

arXiv2021

Quantum magnetism of iron-based ladders: Blocks, spirals, and spin flux

Motivated by increasing experimental evidence of exotic magnetism in low-dimensional iron-based materials, we present a comprehensive theoretical analysis of magnetic states of the multiorbital Hubbard ladder in the orbital-selective Mott phase (OSMP). The model we used is relevant for iron-based compounds of the AFe$_2$X$_3$ family (where A${}={}$Cs, Rb, Ba, K are alkali metals and X${}={}$S, Se are chalcogenides). To reduce computational effort, and obtain almost exact numerical results in the ladder geometry, we utilize a low-energy description of the Hubbard model in the OSMP - the generalized Kondo-Heisenberg Hamiltonian. Our main result is the doping vs interaction magnetic phase diagram. We reproduce the experimental findings on the AFe$_2$X$_3$ materials, especially the exotic block magnetism of BaFe$_2$Se$_3$ (antiferromagnetically coupled $2\times 2$ ferromagnetic islands of the $\uparrow\uparrow\downarrow\downarrow$ form). As in recent studies of the chain geometry, we also unveil block magnetism beyond the $2 \times 2$ pattern (with block sizes varying as a function of the electron doping) and also an interaction-induced frustrated block-spiral state (a spiral order of rigidly rotating ferromagnetic islands). Moreover, we predict new phases beyond the one-dimensional system: a robust regime of phase separation close to half-filling, incommensurate antiferromagnetism for weak interaction, and a quantum spin-flux phase of staggered plaquette spin currents at intermediate doping. Finally, exploiting the bonding/antibonding band occupations, we provide an intuitive physical picture giving insight into the structure of the phase diagram.

cond-mat.str-el↗

arXiv2020

Prediction of exotic magnetic states in the alkali metal quasi-one-dimensional iron selenide compound Na$_2$FeSe$_2$

The magnetic and electronic phase diagram of a model for the quasi-one-dimensional alkali metal iron selenide compound Na$_2$FeSe$_2$ is presented. The novelty of this material is that the valence of iron is Fe$^{2+}$ contrary to most other iron-chain compounds with valence Fe$^{3+}$. Using first-principles techniques, we developed a three-orbital tight-binding model that reproduces the {\it ab initio} band structure near the Fermi level. Including Hubbard and Hund couplings and studying the model via the density matrix renormalization group and Lanczos methods, we constructed the ground state phase diagram. A robust region where the block state $\uparrow \uparrow \downarrow \downarrow \uparrow \uparrow \downarrow \downarrow$ is stabilized was unveiled. The analog state in iron ladders, employing 2$\times$2 ferromagnetic blocks, is by now well-established, but in chains a block magnetic order has not been observed yet in real materials. The phase diagram also contains a large region of canonical staggered spin order $\uparrow \downarrow \uparrow \downarrow \uparrow \downarrow \uparrow$ at very large Hubbard repulsion. At the block to staggered transition region, a novel phase is stabilized with a mixture of both states: an inhomogeneous orbital-selective charge density wave with the exotic spin configuration $\uparrow \uparrow \downarrow \uparrow \downarrow \downarrow \uparrow \downarrow$. Our predictions for Na$_2$FeSe$_2$ may guide crystal growers and neutron scattering experimentalists towards the realization of block states in one-dimensional iron-selenide chain materials.

cond-mat.str-el↗

arXiv2020

Charge-density-wave melting in the one-dimensional Holstein model

We study the Holstein model of spinless fermions, which at half-filling exhibits a quantum phase transition from a metallic Tomonaga-Luttinger liquid phase to an insulating charge-density-wave (CDW) phase at a critical electron-phonon coupling strength. In our work, we focus on the real-time evolution starting from two different types of initial states that are CDW ordered: (i) ideal CDW states with and without additional phonons in the system and (ii) correlated ground states in the CDW phase. We identify the mechanism for CDW melting in the ensuing real-time dynamics and show that it strongly depends on the type of initial state. We focus on the far-from-equilibrium regime and emphasize the role of electron-phonon coupling rather than dominant electronic correlations, thus complementing a previous study of photo-induced CDW melting [H. Hashimoto and S. Ishihara, Phys. Rev. B 96, 035154 (2017)]. The numerical simulations are performed by means of matrix-product-state based methods with a local basis optimization (LBO). Within these techniques, one rotates the local (bosonic) Hilbert spaces adaptively into an optimized basis that can then be truncated while still maintaining a high precision. In this work, we extend the time-evolving block decimation (TEBD) algorithm with LBO, previously applied to single-polaron dynamics, to a half-filled system. We demonstrate that in some parameter regimes, a conventional TEBD method without LBO would fail. Furthermore, we introduce and use a ground-state density-matrix renormalization group method for electron-phonon systems using local basis optimization. In our examples, we account for up to $M_{\rm ph} = 40$ bare phonons per site by working with $O(10)$ optimal phonon modes.

cond-mat.str-el↗

arXiv2020

Inelastic neutron scattering study of the anisotropic $S = 1$ spin chain [Ni(HF$_2$)(3-Clpyridine)$_4$]BF$_4$

[Ni(HF$_2$)(3-Clpyridine)$_4$]BF$_4$ (NBCT) is a one-dimensional, $S = 1$ spin chain material that shows no magnetic neutron Bragg peaks down temperatures of 0.1 K. Previous work identified NBCT to be in the Haldane phase and near a quantum phase transition as a function of $D/J$ to the large-$D$ quantum paramagnet phase (QPM), where $D$ is the axial single-ion anisotropy and $J$ is the intrachain superexchange. Herein, inelastic neutron scattering results are presented on partially deuterated, $^{11}$B enriched NBCT polycrystalline samples in zero magnetic field and down to temperatures of 0.3 K. Comparison to density matrix renormalization group calculations yields $D/J = 1.51$ and a significant rhombic single-ion anisotropy $E$ ($E/D \approx 0.03$, $E/J \approx 0.05$). These $D$, $J$, and $E$ values place NBCT in the large-$D$ QPM phase but precipitously near a quantum phase transition to a long-range ordered phase.

cond-mat.mtrl-sci↗

arXiv2019

Magnetization and energy dynamics in spin ladders: Evidence of diffusion in time, frequency, position, and momentum

The dynamics of magnetization and energy densities are studied in the two-leg spin-1/2 ladder. Using an efficient pure-state approach based on the concept of typicality, we calculate spatio-temporal correlation functions for large systems with up to 40 lattice sites. In addition, two subsequent Fourier transforms from real to momentum space as well as from time to frequency domain yield the respective dynamic structure factors. Summarizing our main results, we unveil the existence of genuine diffusion both for spin and energy. In particular, this finding is based on four distinct signatures which can all be equally well detected: (i) Gaussian density profiles, (ii) time-independent diffusion coefficients, (iii) exponentially decaying density modes, and (iv) Lorentzian line shapes of the dynamic structure factor. The combination of (i) - (iv) provides a comprehensive picture of high-temperature dynamics in thisarchetypal nonintegrable quantum model.

cond-mat.stat-mech↗

arXiv2018

Sudden removal of a static force in a disordered system: Induced dynamics, thermalization, and transport

We study the real-time dynamics of local occupation numbers in a one-dimensional model of spinless fermions with a random on-site potential for a certain class of initial states. The latter are thermal (mixed or pure) states of the model in the presence of an additional static force, but become non-equilibrium states after a sudden removal of this static force. For this class and high temperatures, we show that the induced dynamics is given by a single correlation function at equilibrium, independent of the initial expectation values being prepared close to equilibrium (by a weak static force) or far away from equilibrium (by a strong static force). Remarkably, this type of universality holds true in both, the ergodic phase and the many-body localized regime. Moreover, it does not depend on the specific choice of a unit cell for the local density. We particularly discuss two important consequences. First, the long-time expectation value of the local density is uniquely determined by the fluctuations of its diagonal matrix elements in the energy eigenbasis. Thus, the validity of the eigenstate thermalization hypothesis is not only a sufficient but also a necessary condition for thermalization. Second, the real-time broadening of density profiles is always given by the current autocorrelation function at equilibrium via a generalized Einstein relation. In the context of transport, we discuss the influence of disorder for large particle-particle interactions, where normal diffusion is known to occur in the disorder-free case. Our results suggest that normal diffusion is stable against weak disorder, while they are consistent with anomalous diffusion for stronger disorder below the localization transition. Particularly, for weak disorder, Gaussian density profiles can be observed for single disorder realizations, which we demonstrate for finite lattices up to 31 sites.

cond-mat.stat-mech↗

arXiv2017

Density matrix renormalization group study of a three-orbital Hubbard model with spin-orbit coupling in one dimension

Using the Density Matrix Renormalization Group technique we study the effect of spin-orbit coupling on a three-orbital Hubbard model in the $(t_{2g})^{4}$ sector and in one dimension. Fixing the Hund coupling to a robust value compatible with some multiorbital materials, we present the phase diagram varying the Hubbard $U$ and spin-orbit coupling $λ$, at zero temperature. Our results are shown to be qualitatively similar to those recently reported using the Dynamical Mean Field Theory in higher dimensions, providing a robust basis to approximate many-body techniques. Among many results, we observe an interesting transition from an orbital-selective Mott phase to an excitonic insulator with increasing $λ$ at intermediate $U$. In the strong $U$ coupling limit, we find a non-magnetic insulator with an effective angular momentum $\langle(\textbf{J}^{eff})^{2}\rangle \ne 0$ near the excitonic phase, smoothly connected to the $\langle(\textbf{J}^{eff})^{2}\rangle = 0$ regime. We also provide a list of quasi-one dimensional materials where the physics discussed in this publication could be realized.

cond-mat.str-el↗

arXiv2017

Interaction-Induced Weakening of Localization in Few-Particle Disordered Heisenberg Chains

We investigate real-space localization in the few-particle regime of the XXZ spin-$1/2$ chain with a random magnetic field. Our investigation focuses on the time evolution of the spatial variance of non-equilibrium densities, as resulting for a specific class of initial states, namely, pure product states of densely packed particles. Varying the strength of both particle-particle interactions and disorder, we numerically calculate the long-time evolution of the spatial variance $σ(t)$. For the two-particle case, the saturation of this variance yields an increased but finite localization length, with a parameter scaling different to known results for bosons. We find that this interaction-induced increase is the stronger the more particles are taken into account in the initial condition. We further find that our non-equilibrium dynamics are clearly inconsistent with normal diffusion and instead point to subdiffusive dynamics with $σ(t) \propto t^{1/4}$.

cond-mat.str-el↗

arXiv2016

Typicality approach to the optical conductivity in thermal and many-body localized phases

We study the frequency dependence of the optical conductivity $\text{Re} \, σ(ω)$ of the Heisenberg spin-$1/2$ chain in the thermal and near the transition to the many-body localized phase induced by the strength of a random $z$-directed magnetic field. Using the method of dynamical quantum typicality, we calculate the real-time dynamics of the spin-current autocorrelation function and obtain the Fourier transform $\text{Re} \, σ(ω)$ for system sizes much larger than accessible to standard exact-diagonalization approaches. We find that the low-frequency behavior of $\text{Re} \, σ(ω)$ is well described by $\text{Re} \, σ(ω) \approx σ_\text{dc} + a \, |ω|^α$, with $α\approx 1$ in a wide range within the thermal phase and close to the transition. We particularly detail the decrease of $σ_\text{dc}$ in the thermal phase as a function of increasing disorder for strong exchange anisotropies. We further find that the temperature dependence of $σ_\text{dc}$ is consistent with the existence of a mobility edge.

cond-mat.str-el↗