We propose a nonlocal theory of single-particle excitations. It is based on an off-diagonal effective medium and the projection operator method for treating the retarded Green function. The theory determines the nonlocal effective medium matrix elements by requiring that they are consistent with those of the self-energy of the Green function. This arrows for a description of long-range intersite correlations with high resolution in momentum space. Numerical study for the half-filled Hubbard model on the simple cubic lattice demonstrates that the theory is applicable to the strong correlation regime as well as the intermediate regime of Coulomb interaction strength. Furthermore the results show that nonlocal excitations cause sub-bands in the strong Coulomb interaction regime due to strong antiferromagnetic correlations, decrease the quasi-particle peak on the Fermi level with increasing Coulomb interaction, and shift the critical Coulomb interaction Uc2 for the divergence of effective mass towards higher energies at least by a factor of two as compared with that in the single-site approximation.
The Hubbard model is a prototype for strongly correlated electrons in condensed matter, for molecules and fermions or bosons in optical lattices. While the equilibrium properties of these systems have been studied in detail, the excitation and relaxation dynamics following a perturbation of the system are only poorly explored. Here, we present results for the dynamics of electrons following nonlinear strong excitation that are based on a nonequilibrium Green functions approach. We focus on small systems---"Hubbard nano-clusters"---that contain just a few particles where, in addition to the cor…
Correlation functions and low-energy excitations are investigated in the asymmetric two-leg ladder consisting of a Hubbard chain and a noninteracting tight-binding (Fermi) chain using the density matrix renormalization group method. The behavior of charge, spin and pairing correlations is discussed for the four phases found at half filling, namely, Luttinger liquid, Kondo-Mott insulator, spin-gapped Mott insulator and correlated band insulator. Quasi-long-range antiferromagnetic spin correlations are found in the Hubbard leg in the Luttinger liquid phase only. Pair-density-wave correlations ar…
We study the spin-1 excitation spectra of the flatband ferromagnetic phases in interacting topological insulators. As a paradigm, we consider a quarter filled square lattice Hubbard model whose free part is the $π$ flux state with topologically nontrivial and nearly-flat electron bands, which can realize either the Chern or $Z_2$ Hubbard model. By using the numerical exact diagonalization method with a projection onto the nearly-flat band, we obtain the ferromagnetic spin-1 excitation spectra for both the Chern and $Z_2$ Hubbard models, consisting of spin waves and Stoner continuum. The spectr…
We investigate the time evolution of optical conductivity in the half-filled one-dimensional extended Hubbard model driven by a transient laser pulse, by using the time-dependent Lanczos method. Photoinduced in-gap excitations exhibit a qualitatively different structure in the spin-density wave (SDW) in comparison to the charge-density-wave (CDW) phase. In the SDW, the origin of a low-energy in-gap excitation is attributed to the even-odd parity of the photoexcited states, while in the CDW an in-gap state is due to confined photogenerated carriers. The signature of the in-gap excitations can b…
Low-energy excitations of the one-dimensional half-filled SU(4) Hubbard model with an attractive on-site interaction: Density-matrix renormalization-group calculations and perturbation theory
We study quenches of the interaction and electron-phonon coupling parameter in the Hubbard-Holstein model, using nonequilibrium dynamical mean field theory. The calculations are based on a generalized Lang-Firsov scheme for time-dependent interactions or externally driven phonons, and an approximate strong-coupling impurity solver. The interaction quench calculations reveal the phonon-assisted decay of excess doublons, while the quenches of the electron-phonon coupling lead to persistent oscillations of the phonons and to a phonon-enhanced doublon production.
We investigate the excitation spectrum of strongly correlated sodium cobaltate within a realistic many-body description beyond dynamical mean-field theory (DMFT). At lower doping around $x$=0.3, rather close to Mott-critical half-filling, the single-particle spectral function of Na$_x$CoO$_2$ displays an upper Hubbard band which is captured within DMFT. Momentum-dependent self-energy effects beyond DMFT become dominant at higher doping. Around a doping level of $x\sim 0.67$, the incoherent excitations give way to finite-energy spin-polaron excitations in close agreement with optics experiments…
Single-- and two-particle excitation spectra of the one-dimensional, half-filled Holstein-Hubbard model are calculated using the continuous-time quantum Monte Carlo method. In the metallic phase, the results are consistent with a Luther-Emery liquid that has gapped spin and single-particle excitations but a gapless charge mode. However, given the initially exponential dependence of the spin gap on the backscattering matrix element, the numerical excitation spectra appear gapless in the weak-coupling regime, and therefore resemble those of a Luttinger liquid. The Mott phase has the expected cha…
We use Perturbative Continuous Unitary Transformations (PCUT) to study the one dimensional Extended Ionic Hubbard Model (EIHM) at half-filling in the band insulator region. The extended ionic Hubbard model, in addition to the usual ionic Hubbard model, includes an inter-site nearest-neighbor (n.n.) repulsion, $V$. We consider the ionic potential as unperturbed part of the Hamiltonian, while the hopping and interaction (quartic) terms are treated as perturbation. We calculate total energy and ionicity in the ground state. Above the ground state, (i) we calculate the single particle excitation s…
Momentum-resolved resonant inelastic x-ray scattering (RIXS) spectroscopy has been carried out at the Fe K edge, successfully for the first time. The RIXS spectra of a FeBO3 single crystal reveal a wealth of information on 1-10 eV electronic excitations. The IXS signal resonates both when the incident photon energy approaches the pre-edge (1s-3d) and the main-edge (1s-4p) of the Fe K edge absorption spectrum. The RIXS spectra measured at the pre-edge and the main-edge show quantitatively different dependences on the incident photon energy, momentum transfer, polarization, and temperature. Elec…
The Kotliar and Ruckenstein slave-boson representation of the Hubbard model allows to obtain an approximation of the charge dynamical response function resulting from the Gaussian fluctuations around the paramagnetic saddle-point in analytical form. Numerical evaluation in the thermodynamical limit yields charge excitation spectra consisting of a continuum, a gapless collective mode with anisotropic zero-sound velocity, and a correlation induced high-frequency mode at $ω\approx U$. In this work we show that this analytical expression obeys the particle-hole symmetry of the model on any biparti…
We study the effects of charge degrees of freedom on the spin excitation dynamics in quasi-one dimensional magnetic materials. Using the density matrix renormalization group method, we calculate the dynamical spin structure factor of the Hubbard model at half electronic filling on a chain and on a ladder geometry, and compare the results with those obtained using the Heisenberg model, where charge degrees of freedom are considered frozen. For both chains and two-leg ladders, we find that the Hubbard model spectrum qualitatively resembles the Heisenberg spectrum -- with low-energy peaks resembl…
Recently, a SU(4) $π$-flux Hubbard model on the honeycomb lattice has been proposed to study the spin-orbit excitations of $α$-ZrCl$_3$ [Phys.~Rev.~Lett. 121.097201~(2017)]. Based on this model with a zigzag edge, we show the edge defects can induce edge flat bands that result in a SU(4) edge ferromagnetism. We develop an effective one-dimensional interaction Hamiltonian to study the corresponding SU(4) spin excitations. Remarkably, SU(4) spin excitations of the edge ferromagnet appear as a continuum covering the entire energy region rather than usual magnons. Through further entanglement entr…
The dynamical structure factor is an important observable of quantum magnets but due to numerical and theoretical limitations, it remains a challenge to make predictions for Hubbard-like models beyond one dimension. In this work, we study the magnetic excitations of the triangular lattice Hubbard model including next-nearest neighbor hopping. Starting from the 120$^{\circ}$ and stripe magnetic orders we compute the magnon spectra within a self-consistent random phase approximation. In the stripe phase, we generically find accidental zero modes related to a classical degeneracy known from the c…
Symmetry crossover and excitation thresholds at the neutral-ionic transition of the modified Hubbard model
用价键方法计算了均匀间距的N位修正哈伯德模型的基态、电荷密度和激发能。在中性-离子跃迁（NIT）时，基态分别在周期和反周期边界条件下的4 n，4 n +2环中发生对称性交叉.改进的哈伯德模型在成对侧的抗磁性带绝缘体和共价侧的顺磁性莫特绝缘体之间具有连续的NIT。对于有限N的单重态-三重态（ST）、单重态-单重态（SS）和电荷能隙表明，随着U的增加，ST和SS能隙在NIT处闭合，并且电荷能隙仅在那里消失。双N激励将所有奇点约束到对称交叉的约0.1t。NIT被解释为一个本地化的基态（gs）与有限的间隙对侧和扩展的GS与消失的ST和SS的共价侧的间隙。电荷间隙和电荷刚度表明在过渡金属GS，然而，是无条件不稳定的二聚。
To shed light on how electronic correlations vary across the phase diagram of the cuprate superconductors, we examine the doping evolution of spin and charge excitations in the single-band Hubbard model using determinant quantum Monte Carlo (DQMC). In the single-particle response, we observe that the effects of correlations weaken rapidly with doping, such that one may expect the random phase approximation (RPA) to provide an adequate description of the two-particle response. In contrast, when compared to RPA, we find that significant residual correlations in the two-particle excitations persi…
Using a high-frequency expansion in periodically driven extended Hubbard models, where the strengths and ranges of density-density interactions are arbitrary, we obtain the effective interactions and bandwidth, which depend sensitively on the polarization of the driving field. Then, we numerically calculate modulations of correlation functions in a quarter-filled extended Hubbard model with nearest-neighbor interactions on a triangular lattice with trimers after monocycle pulse excitation. We discuss how the resultant modulations are compatible with the effective interactions and bandwidth der…
We compute dynamic spin susceptibilities in the two-dimensional Hubbard model using the method of Dual Fermions and provide comparison to lattice Monte Carlo and cluster dynamical mean field theory. We examine the energy dispersion identified by peaks in ${\rm Im}χ(ω,q)$ which define spin modes and compare the exchange scale and magnon dispersion to neutron experiments on the parent La$_2$CuO$_4$ cuprate. We present the evolution of the spin excitations as a function of Hubbard interaction strengths and doping and explore the particle-hole asymmetry of the spin excitations. We also study the c…
A detailed study of the one-dimensional ionic Hubbard model with interaction $U$ is presented. We focus on the band insulating (BI) phase and the spontaneously dimerized insulating (SDI) phase which appears on increasing $U$. By a recently introduced continuous unitary transformation [Krull et al.\ Phys. Rev. B {\bf 86}, 125113 (2012)] we are able to describe the system even close to the phase transition from BI to SDI although the bare perturbative series diverges before the transition is reached. First, the dispersion of single fermionic quasiparticles is determined in the full Brillouin zon…
We study the properties of Floquet prethermal states in two-dimensional Mott-insulating Hubbard clusters under continuous optical excitation. With exact-diagonalization simulations, we show that Floquet prethermal states emerge not only off resonance, but also for resonant excitation, provided a small field amplitude. In the resonant case, the long-lived quasi-stationary Floquet states are characterized by Rabi oscillations of observables such as double occupation and kinetic energy. At stronger fields, thermalization to infinite temperature is observed. We understand these results in terms of…
We study the spectral function of two-leg Hubbard ladders with the time-dependent density matrix renormalization group method (tDMRG). The high-resolution spectrum displays features of spin-charge separation and a scattering continuum of excitations with coherent bands of bound states `leaking' from it. As the inter-leg hopping is increased, the continuum in the bonding channel moves to higher energies and spinon and holon branches merge into a single coherent quasi-particle band. Simultaneously, the spectrum undergoes a crossover from a regime with two minima at incommensurate values of $k_x$…
Relationship between doping-induced in-gap states and spin excitations in Kitaev-Hubbard models
Department of Physics, Nanjing University（南京大学物理学院）；Collaborative Innovation Center of Advanced Microstructures, Nanjing University（南京大学先进微结构协同创新中心）；Jiangsu Key Laboratory of Quantum Information Science and Technology, Nanjing University（南京大学江苏省量子信息科学与技术重点实验室）；Department of Applied Physics, Nanjing University of Science and Technology（南京理工大学应用物理系）
The interplay between long-range and local Coulomb repulsion in strongly interacting electron systems is explored through a two-dimensional Hubbard-Wigner model. An unconventional metallic state is found in which collective low-energy excitations characteristic of the Wigner crystal induce a flow of electrical current despite the absence of one-electron spectral weight at the Fermi surface. Photoemission experiments on certain quarter-filled layered molecular crystals should observe a gap in the excitation spectrum whereas optical spectroscopy should find a finite Drude weight indicating metal…
The possibility to form excitons in photoilluminated correlated materials is central from fundamental and application oriented perspectives. In this paper we show how the interplay of electron-electron interactions and a magnetic superstructure leads to the formation of a peculiar spinful dark exciton, which can be detected in ARPES-type experiments and optical measurements. We study this by using matrix product states (MPS) to compute the time evolution of single-particle spectral functions and of the optical conductivity following an electron-hole excitation in a class of one-dimensional cor…
Fermi gases and liquids display an excitation spectrum that is simply connected, ensuring closed Fermi surfaces. In strongly correlated systems like the cuprate superconductors, the existence of open sheets of Fermi surface known as Fermi arcs indicates a distinctly different topology of the spectrum with no equivalent in Fermi liquid theory. Here, we demonstrate a generic mechanism by which correlation effects in fermionic systems can change the topology of the spectrum. Using diagrammatic Monte Carlo simulations, we demonstrate the existence of disconnected and multiply connected excitation …
In this article, we discuss the non-trivial collective charge excitations (plasmons) of the extended square-lattice Hubbard model. Using a fully non-perturbative approach, we employ the hybrid Monte Carlo algorithm to simulate the system at half-filling. A modified Backus-Gilbert method is introduced to obtain the spectral functions via numerical analytic continuation. We directly compute the single-particle density of states which demonstrates the formation of Hubbard bands in the strongly-correlated phase. The momentum-resolved charge susceptibility is also computed on the basis of the Eucli…
The high harmonic spectrum of the Mott insulating Hubbard model has recently been shown to exhibit plateau structures with cutoff energies determined by $n$th nearest neighbor doublon-holon recombination processes. The spectrum thus allows to extract the on-site repulsion $U$. Here, we consider generalizations of the single-band Hubbard model and discuss the signatures of bosonic excitations in high harmonic spectra. Specifically, we study an electron-plasmon model which captures the essential aspects of the dynamically screened Coulomb interaction in solids and a multi-orbital Hubbard model w…
Neutron scattering is used to investigate the single-ion spin and orbital excitations below the Mott-Hubbard gap in CoO. Three excitations are reported at 0.870 $\pm$ 0.009 eV, 1.84 $\pm$ 0.03, and 2.30 $\pm$ 0.15 eV. These were parameterized within a weak crystal field scheme with an intra-orbital exchange of $J(dd)$=1.3 $\pm$ 0.2 eV and a crystal field splitting 10Dq=0.94 $\pm$ 0.10 eV. A reduced spin-orbit coupling of λ=-0.016 $\pm$ 0.003 eV is derived from dilute samples of Mg$_{0.97}$Co$_{0.03}$O, measured to remove complications due to spin exchange and structural distortion parameters w…
