One-dimensional Hubbard Model Research Articles

Machine Learning Phase Diagram in the Half-filled One-dimensional Extended Hubbard Model

We demonstrate that supervised machine learning (ML) with entanglement spectrum can give useful information for constructing phase diagram in the half-filled one-dimensional extended Hubbard model. Combining ML with infinite-size density-matrix renormalization group, we confirm that bond-order-wave phase remains stable in the thermodynamic limit.

Critical entanglement for the half-filled extended Hubbard model

We study the ground state of the one-dimensional extended Hubbard model at half-filling using the entanglement entropy calculated by Density Matrix Renormalization Group (DMRG) techniques. We apply a novel curve fitting and scaling method to accurately identify a $2^{nd}$ order critical point as well as a Berezinskii-Kosterlitz-Thouless (BKT) critical point. Using open boundary conditions and medium-sized lattices with very small truncation errors, we are able to achieve similar accuracy to previous authors. We also report observations of finite-size and boundary effects that can be remedied with careful pinning.

Dynamical Charge Structure Factor of a One-Dimensional Ionic Hubbard Model in the Low-Energy Region

We present a numerical study of the charge dynamical structure factor N(k,omega) of a one-dimensional (1D) ionic Hubbard model in the Mott insulator phase. We show that the low-energy spectrum of N(k,omega) is expressed in terms of the spin operators for the spin degrees of freedom. Numerical results of N(k,omega) for the spin degrees of freedom, obtained by the Lanczos diagonalization method, well reproduce the low-energy spectrum of N(k,omega) of the 1D ionic Hubbard model. In addition, we show that these spectral peaks probe the dispersion of the spin-singlet excitations of the system and are observed in the wide parameter region of the MI phase.

Block excitonic condensate at n=3.5 in a spin-orbit coupled t2g multiorbital Hubbard model

Theoretical studies recently predicted the condensation of spin-orbit excitons at momentum $q$=$\pi$ in $t_{2g}^4$ spin-orbit coupled three-orbital Hubbard models at electronic density $n=4$. In parallel, experiments involving iridates with non-integer valence states for the Ir ions are starting to attract considerable attention. In this publication, using the density matrix renormalization group technique we present evidence for the existence of a novel excitonic condensate at $n=3.5$ in a one-dimensional Hubbard model with a degenerate $t_{2g}$ sector, when in the presence of spin-orbit coupling. At intermediate Hubbard $U$ and spin-orbit $\lambda$ couplings, we found an excitonic condensate at the unexpected momentum $q$=$\pi/2$ involving $j_{\textrm{eff}}=3/2,m=\pm1/2$ and $j_{\textrm{eff}}=1/2,m=\pm1/2$ bands in the triplet channel, coexisting with an also unexpected block magnetic order. We also present the entire $\lambda$ vs $U$ phase diagram, at a fixed and robust Hund coupling. Interestingly, this new `block excitonic phase' is present even at large values of $\lambda$, unlike the $n=4$ excitonic phase discussed before. Our computational study helps to understand and predict the possible magnetic phases of materials with $d^{3.5}$ valence and robust spin-orbit coupling.

Strong Odd Bond - Weak Even Bond Picture in the Half-Filled One-Dimensional Hubbard Model

We study the strong odd bond - weak even bond picture by measuring the bond energy and the half-chain entanglement entropy in the one-dimensional Hubbard model. By using the infinite density matrix renormalization group with matrix product operator, we obtain the ground state of the matrix product state. As a function of the bond dimension, the bond energy and the half-chain entanglement entropy support the strong odd bond - weak even bond picture. From the expectation values of the occupation number, we numerically observe that the odd - even effect appears only for the half-filling case with a finite bond dimension. Our results confirm that the matrix product operator method is successful in exploring itinerant fermionic systems.

The One-Dimensional Hubbard Model in the Limit of u ≫ t

We revisit the one-dimensional Hubbard model in the case of strong correlations, i.e. for on-site repulsion constant strongly greater than hopping constant u ≫ t, and assume that each atom has only a single relevant orbital. We present in detail the example of half-filled system with four atoms. We reconfirm that when the sites are almost independent atoms, i.e. in the atomic limit, the spin-spin coupling term appears, every site carries exactly one electron and hopping is suppressed. We compare the results with one-dimensional Heisenberg Hamiltonian using the translational and unitary symmetries, and separation of the spin and pseudo-spin degrees of freedom.

Rotationally invariant slave-boson and density matrix embedding theory: Unified framework and comparative study on the one-dimensional and two-dimensional Hubbard model

We present detailed benchmark ground-state calculations of the one- and two-dimensional Hubbard model utilizing the cluster extensions of the rotationally invariant slave-boson (RISB) mean-field theory and the density matrix embedding theory (DMET). Our analysis shows that the overall accuracy and the performance of these two methods are very similar. Furthermore, we propose a unified computational framework that allows us to implement both of these techniques on the same footing. This provides us with a new line of interpretation and paves the ways for developing systematically new generalizations of these complementary approaches.

Natural orbital functional for spin-polarized periodic systems

Natural orbital functional theory is considered for systems with one or more unpaired electrons. An extension of the Piris natural orbital functional (PNOF) based on electron pairing approach is presented, specifically, we extend the independent pair model, PNOF5, and the interactive pair model PNOF7 to describe spin-uncompensated systems. An explicit form for the two-electron cumulant of high-spin cases is only taken into account, so that singly occupied orbitals with the same spin are solely considered. The rest of the electron pairs with opposite spins remain paired. The reconstructed two-particle reduced density matrix fulfills certain N-representability necessary conditions, as well as guarantees the conservation of the total spin. The theory is applied to model systems with strong non-dynamic (static) electron correlation, namely, the one-dimensional Hubbard model with periodic boundary conditions and hydrogen rings. For the latter, PNOF7 compares well with exact diagonalization results so the model presented here is able to provide a correct description of the strong-correlation effects.

Doping dependence of the phase diagram in one-dimensional extended Hubbard model: a functional renormalization group study

Using functional renormalization group method, we studied the phase diagram of the one-dimensional extended Hubbard model at different dopings. At half filling, variety of states strongly compete with each other. These states include spin-density wave, charge-density wave, s-wave and p -wave superconductivity, phase separation, and an exotic bond-order wave. By doping, system favours superconductivity more than density waves. At 1/8 doping, a new area of extended s-wave superconductivity emerges between charge density wave and bond-order wave regions. If the system is doped to 1/4-doping, a new area of p -wave superconductivity emerges between charge-density wave and spin-density wave regions.

Finite-entanglement properties in the matrix product states of the one-dimensional Hubbard model

We study the effects of limited entanglement in the one-dimensional Hubbard model by representing the ground states in the form of matrix product states. Finite-entanglement scaling behavior over a wide range is observed at half-filling. The critical exponents characterizing the length scale in terms of the size of the matrices used are obtained, confirming the theoretical prediction that the values of the exponents are solely determined by the central charge. The entanglement spectrum shows that a global double degeneracy occurs in the ground states with a charge gap. We also find that the Mott transition, tuned by changing the chemical potential, always occurs through a first-order transition, and the metallic phase has a few conducting states, including the states with a mean-field nature close to the critical point, as expected in variational matrix product states with a finite amount of entanglement.

Thermal Modification of Graphite for Fast Electron Transport and Increased Capacitance

On thermal treatment, eight different graphite materials became resistant to air aging for at least 9 weeks compared to the usual time of hours to a few days when assayed in 1 mM ferri-ferrocyanide solution. In addition, resistance to aging lasted at least 7 days when immersed in 1 mM ferri-ferrocyanide solution compared to the frequently reported few minutes to hours. Experimental results confirm that with heat treatment, HOPG-ZYH, graphite rods, pyrolytic graphites, graphite felts, and natural and artificial graphites undergo structural reorganization that leads to restructuring of their electronic nature. This electronic restructuring enhances and sustains their electrochemical properties. The extent of reorganization is dependent on the initial disordered state, which in turn is important to the final structural and electronic conditions. These results strongly suggest that the primary factor enhancing the electronic response of heat-treated materials is from an overall higher density of states (DOS) localized on delocalizing π bonds compared to their controls. This structural reorganization of the graphites also supports a degree of crystallinity along the lattice sites that enables carrier hopping irrespective of adventitious oxygen-containing and hydrocarbon moieties that are associated with aging-induced sluggish electron transfer kinetics. The attributes of this electronic structure demonstrate a strongly correlated system that exhibits a nonperturbative behavior. A one-dimensional Hubbard model describes this behavior to explain the surface-to-electronic chemistry of treated graphites by addressing both their enhanced electrochemical performance and their delayed or reduced aging effects.

Ultrafast transient interference in pump-probe spectroscopy of band and Mott insulators

Ultrafast pump-probe spectroscopy with high temporal and spectral resolutions provides new insight into ultrafast nonequilibrium phenomena. We propose that transient interference between pump and probe pulses is realized in pump-probe spectroscopy of band and Mott insulators, which can be observed only after recent developments of ultrafast spectroscopic techniques. A continuum structure in the excitation spectrum of band insulators is found to act as a medium for storing the spectral information of the pump pulse, and the spectrum detected by the probe pulse is interfered with by the medium, generating the transient interference in the energy domain. We also demonstrate the transient interference in the presence of electron correlations in a one-dimensional half-filled Hubbard model. Furthermore, bosons coupled to electrons additively contribute to the interference. Our finding will provide an interpretation of probe-energy-dependent oscillations recently observed in the pump-probe spectrum for a two-dimensional Mott insulator.

Adiabatic freezing of entanglement with insertion of defects in a one-dimensional Hubbard model

We report on ground state phases of a doped one-dimensional Hubbard model, which for large onsite interactions is governed by the $t$-$J$ Hamiltonian, where the extant entanglement is immutable under perturbative or sudden changes of system parameters, a phenomenon termed as adiabatic freezing. We observe that in the metallic Luttinger liquid phase of the model bipartite entanglement decays polynomially and is adiabatically frozen, in contrast to the variable, exponential decay in the phase-separation and superconducting spin-gap phases. Significantly, at low fixed electron densities, the spin-gap phase shows remarkable affinity to doped resonating valence bond gas, with multipartite entanglement frozen across all parameter space. We note that entanglement, in general, is sensitive to external perturbation, as observed in several systems, and hitherto, no such invariance or freezing behavior has been reported.

Giant Magnetoresistance in Hubbard Chains.

We use numerically unbiased methods to show that the one-dimensional Hubbard model with periodically distributed on-site interactions already contains the minimal ingredients to display the phenomenon of magnetoresistance; i.e., by applying an external magnetic field, a dramatic enhancement on the charge transport is achieved. We reach this conclusion based on the computation of the Drude weight and of the single-particle density of states, applying twisted boundary condition averaging to reduce finite-size effects. The known picture that describes the giant magnetoresistance, by interpreting the scattering amplitudes of parallel or antiparallel polarized currents with local magnetizations, is obtained without having to resort to different entities; itinerant and localized charges are indistinguishable.

Spin Subdiffusion in the Disordered Hubbard Chain

We derive and study an effective spin model that explains the anomalous spin dynamics in the one-dimensional Hubbard model with strong potential disorder. Assuming that charges are localized, we show that spins are delocalized and their subdiffusive transport originates from a singular random distribution of spin exchange interactions. The exponent relevant for the subdiffusion is determined by the Anderson localization length and the density of the electrons. Although the analytical derivations are valid for low particle density, numerical results for the full model reveal a qualitative agreement up to half filling.

Phase dilemma in natural orbital functional theory from the N-representability perspective

Any rigorous approach to first-order reduced density (1RDM) matrix functional theory faces the phase dilemma, that is, having to deal with a large number of possible combinations of signs in terms of the electron-electron interaction energy. This problem was discovered by reducing a ground-state energy generated from an approximate N-particle wavefunction into a functional of the 1RDM, known as the top-down method. Here, we show that the phase dilemma also appears in the bottom-up method, in which the functional E[1RDM] is generated by progressive inclusion of N-representability conditions on the reconstructed two-particle reduced density matrix. It is shown that an adequate choice of signs is essential to accurately describe model systems with strong non-dynamic (static) electron correlation, specifically, the one-dimensional Hubbard model with periodic boundary conditions and hydrogen rings. For the latter, the Piris natural orbital functional 7 (PNOF7), with phases equal to -1 for the inter-pair energy terms containing the exchange-time-inversion integrals, agrees with exact diagonalization results.

Universal thermodynamics of the one-dimensional attractive Hubbard model

The one-dimensional (1D) Hubbard model, describing electrons on a lattice with an on-site repulsive interaction, provides a paradigm for the physics of quantum many-body phenomena. Here by solving the thermodynamic Bethe ansatz equations we study the universal thermodynamics, quantum criticality and magnetism of the 1D attractive Hubbard model. We show that the compressibility and the susceptibility of the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO)-like state obey simple additivity rules at low temperatures, indicating an existence of two free quantum fluids. The magnetic properties, such as magnetization and susceptibility, reveal three physical regions: quantum fluids at low temperatures, a non-Fermi liquid at high temperatures and the quantum fluid to non-Fermi liquid crossover in between. The lattice interaction is seen to significantly influence the nature of the FFLO-like state in 1D. Furthermore, we show that the dimensionless Wilson ratio provides an ideal parameter to map out the various phase boundaries and to characterize the two free fluids of the FLLO-like state. The quantum scaling functions for the thermal and magnetic properties yield the same dynamic critical exponent $z=2$ and correlation critical exponent $\nu=1/2$ in the quantum critical region whenever a phase transition occurs. Our results provide a rigorous understanding of quantum criticality and free fluids of many-body systems on a 1D lattice.

Fulde-Ferrell-Larkin-Ovchinnikov correlation and free fluids in the one-dimensional attractive Hubbard model

In this Rapid Communication we show that low energy macroscopic properties of the one-dimensional (1D) attractive Hubbard model exhibit two fluids of bound pairs and of unpaired fermions. Using the thermodynamic Bethe ansatz equations of the model, we first determine the low temperature phase diagram and analytically calculate the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) pairing correlation function for the partially-polarized phase. We then show that for such a FFLO-like state in the low density regime the effective chemical potentials of bound pairs and unpaired fermions behave like two free fluids. Consequently, the susceptibility, compressibility and specific heat obey simple additivity rules, indicating the `free' particle nature of interacting fermions on a 1D lattice. In contrast to the continuum Fermi gases, the correlation critical exponents and thermodynamics of the attractive Hubbard model essentially depend on two lattice interacting parameters. Finally, we study scaling functions, the Wilson ratio and susceptibility which provide universal macroscopic properties/dimensionless constants of interacting fermions at low energy.

Hubbard model analysis of the double photoionization of aromatic hydrocarbons

Using the one-dimensional Hubbard model as a guide, the peaks in the double photoionization in a variety of aromatic hydrocarbons and related molecules are analyzed. In all the aromatic hydrocarbons that have been studied, there are peaks in the 2[Formula: see text] ion concentration that are 40 eV above threshold. These peaks arise from the emission of electrons from a Hubbard state associated with carbon atoms on the perimeter of the molecule. Pyrene and coronene also have low energy peaks 10 eV above threshold that are associated with the carbon atoms inside the perimeter. The linear behavior of the 2[Formula: see text] ion concentration above the two-electron ionization energy that is found in organic molecules lacking periodic symmetry in their perimeter atoms is associated with the simultaneous emission of two photoelectrons with approximately equal kinetic energies moving in opposite directions.

Asymptotic correlation functions and FFLO signature for the one-dimensional attractive Hubbard model

We study the long-distance asymptotic behavior of various correlation functions for the one-dimensional (1D) attractive Hubbard model in a partially polarized phase through the Bethe ansatz and conformal field theory approaches. We particularly find the oscillating behavior of these correlation functions with spatial power-law decay, of which the pair (spin) correlation function oscillates with a frequency ΔkF (2ΔkF). Here ΔkF=π(n↑−n↓) is the mismatch in the Fermi surfaces of spin-up and spin-down particles. Consequently, the pair correlation function in momentum space has peaks at the mismatch k=ΔkF, which has been observed in recent numerical work on this model. These singular peaks in momentum space together with the spatial oscillation suggest an analog of the Fulde–Ferrell–Larkin–Ovchinnikov (FFLO) state in the 1D Hubbard model. The parameter β representing the lattice effect becomes prominent in critical exponents which determine the power-law decay of all correlation functions. We point out that the backscattering of unpaired fermions and bound pairs within their own Fermi points gives a microscopic origin of the FFLO pairing in 1D.