我们研究了一个描述电荷有序绝缘体的简单有效模型。其紧束缚哈密顿量由有效在位相互作用 U 和格点间密度-密度相互作用 Wij（包括最近邻和次近邻）组成。在分析该模型的相图和热力学性质时，我们采用了变分方法：精确处理在位相互作用项，并在平均场近似内处理格点间相互作用。我们对一般情形（作为电子浓度的函数）的研究表明，该系统表现出多种临界行为，其中包括双临界点、三临界点、临界端点和孤立临界点。在本报告中，我们集中讨论亚稳相及其之间的转变。研究发现，系统中可以存在亚稳相之间的一级和二级转变。这些转变发生在稳定相之间的一级及二级转变附近。对于在位吸引情形，我们还确定了相分离态稳定范围内均匀亚稳相出现的区域。
英文摘要：
We have studied a simple effective model of charge ordered insulators. The tight binding Hamiltonian consists of the effective on-site interaction U and the intersite density-density interaction Wij (both: nearest-neighbor and next-nearest-neighbor). In the analysis of the phase diagrams and thermodynamic properties of this model we have adopted the variational approach, which treats the on-site interaction term exactly and the intersite interactions within the mean-field approximation. Our investigations of the general case (as a function of the electron concentration) have shown that the system exhibits various critical behaviors including among others bicritical, tricritical, critical-end and isolated critical points. In this report we concentrate on the metastable phases and transitions between them. One finds that the first- and second order transitions between metastable phases can exist in the system. These transitions occur in the neighborhood of first as well as second order transitions between stable phases. For the case of on-site attraction the regions of metastable homogeneous phases occurrence inside the ranges of phase separated states stability have been also determined.
We consider the extended Hubbard model in the atomic limit on a Bethe lattice with coordination number z. By using the equations of motion formalism, the model is exactly solved for both attractive and repulsive intersite potential V. By focusing on the case of negative V, i.e., attractive intersite interaction, we study the phase diagram at finite temperature and find, for various values of the filling and of the on-site coupling U, a phase transition towards a state with phase separation. We determine the critical temperature as a function of the relevant parameters, U/|V|, n and z and we fi…
Using the nonlocal coherent-potential approximation we study the effect of intersite spatial correlations on the transition from band insulator to metal as well as from metal to Mott insulator in the "alloy analogy" approach to the paramagnetic solution of the half-filled ionic Hubbard model. We find that intersite spatial correlations enhance the metallic phase.
We study intersite electron correlations in the half-filled Hubbard model on square lattices with periodic and open boundary conditions by means of a real-space dual fermion approach. By calculating renormalization factors, we clarify that nearest-neighbor intersite correlations already significantly reduce the critical interaction. The Mott transition occurs at U/t~6.4, where $U$ is the interaction strength and t is the hopping integral. This value is consistent with the quantum Monte Carlo results. This shows the importance of short-range intersite correlations, which are taken into account …
We study the effects of intersite RKKY-like interactions in the mixed valence regime of a two-band extended Hubbard model. This model is known to display a metallic non-Fermi liquid state with spin-charge separation in the standard $D=\infty$ limit (where interactions lead to purely on-site fluctuations only). Using an extended $D=\infty$ approach, we find that the spin-charge separation survives the quantum fluctuations associated with arbitrary intersite density-density interactions and a finite range of intersite spin-exchange interactions. We determine the qualitative behavior of the spin,…
The effect of the strong intersite Coulomb correlations on the formation of the electron structure of the t-V-model has been studied. A qualitatively new result has been obtained which consists in the occurrence of a split-off band of the Fermi states. The spectral intensity of this band increases with the enhancement of a doping level and is determined by the mean-square fluctuation of the occupation numbers. This leads to the qualitative change in the structure of the electron density of states.
We study the one- and two- dimensional extended Hubbard model by means of the Composite Operator Method within the 2-pole approximation. The fermionic propagator is computed fully self-consistently as a function of temperature, filling and Coulomb interactions. The behaviors of the chemical potential (global indicator) and of the double occupancy and nearest-neighbor density- density correlator (local indicators) are analyzed in detail as primary sources of information regarding the instability of the paramagnetic (metal and insulator) phase towards charge ordering driven by the intersite Coul…
We study the lattice dynamics of antiferromagnetic transition-metal oxides by using self-consistent Hubbard functionals. We calculate the ground states of the oxides with the on-site and intersite Hubbard interactions determined self-consistently within the framework of density functional theory. The on-site and intersite Hubbard terms fix the errors associated with the electron self-interaction in the local and semilocal functionals. Inclusion of the intersite Hubbard terms in addition to the on-site Hubbard terms produces accurate phonon dispersion of the transition-metal oxides. Calculated …
A simple effective model of charge ordered insulators is studied. The tight binding Hamiltonian consists of the effective on-site interaction U and the intersite density-density interactions Wij (both: nearest-neighbour and next-nearest-neighbour). In the analysis of the phase diagrams we have adopted the variational approach, which treats the on-site interaction term exactly and the intersite interactions within the mean-field approximation. The phase separated states have not been taken into account in previous analyses. Our investigations of two cases of the on-site interaction: attraction …
A simple effective model for a description of magnetically ordered insulators is analysed. The tight binding Hamiltonian consists of the effective on-site interaction (U) and intersite magnetic exchange interactions (Jz, Jxy) between nearest-neighbours. The phase diagrams of this model have been determined within the variational approach, which treats the on-site interaction term exactly and the intersite interactions within the mean-field approximation. We show that, depending on the values of interaction parameters and the electron concentration, the system can exhibit not only homogeneous p…
The extended Hubbard model in the zero-bandwidth limit is studied. The effective Hamiltonian consists of (i) on-site $U$ interaction and intersite (ii) density-density interaction $W$ and (iii) Ising-like magnetic exchange interaction $J$ (between the nearest-neighbors). We present rigorous (and analytical) results obtained within the transfer-matrix method for 1D-chain in two particular cases: (a) $W=0$ and $n=1$; (b) $U\rightarrow+\infty$ and $n=1/2$ ($W\neq 0$, $J\neq 0$). We obtain the exact formulas for the partition functions which enables to calculate thermodynamic properties such as en…
Using the SCRPA, we study the intersite interaction effect on the dynamics of N electrons system. We have considered an extended Hubbard model including intrasite and intersite interactions, and we have applied this model to a system of two neighbouring atoms containing a free electron. The application of SCRPA to this model allows us to study the intersite interaction effect on the ground state and the excitation energies of system. We show that the repulsive interaction between the electrons of the neighbouring atoms is the origin of an supplementary conductivity of the system.
In this work, we report the pressure dependence of the effective Coulomb interaction parameters (Hubbard U) in paramagnetic NiO within the constrained random phase approximation (cRPA). We consider five different low energy models starting from the most expensive one that treats both Ni-d and O-p states as correlated orbitals (dp-dp model) to the smallest possible two-orbital model comprising the eg states only (eg-eg model). We find that in all the considered models, the bare interactions are not very sensitive to the compression. However the partially screened interaction parameters show an …
In this paper the two dimensional extended Hubbard model with intersite magnetic Ising-like interaction in the atomic limit is analyzed by means of the classical Monte Carlo method in the grand canonical ensemble. Such an effective simple model could describe behavior of insulating (anti)ferromagnets. In the model considered the Coulomb interaction ($U$) is on-site and the magnetic interactions in $z$-direction ($J>0$, antiferromagnetic) are restricted to nearest-neighbors. Simulations of the model have been performed on a square lattice consisting of $N=L\times L=400$ sites ($L=20$) in order …
We describe a recent implementation of the combined GW and dynamical mean field (DMFT) method "GW+DMFT" for the two-dimensional Hubbard model with on-site and nearest-neighbor repulsion. We clarify the relation of the GW+DMFT scheme to alternative approaches in the literature, and discuss the corresponding approximations to the free energy functional of the model. Furthermore, we describe a numerically exact technique for the self-consistent solution of the GW+DMFT equations, namely the hybridization expansion continuous-time algorithm for solving the dynamical impurity model that arises withi…
Using {\it ab initio} approaches for extended Hubbard interactions coupled to phonons, we reveal that the intersite Coulomb interaction plays important roles in determining various distinctive phases of the paradigmatic charge ordered materials of Ba$_{1-x}$K$_x A$O$_3$ ($A=$ Bi and Sb). We demonstrated that all their salient doping dependent experiment features such as breathing instabilities, anomalous phonon dispersions, and transition between charge-density wave and superconducting states can be accounted very well if self-consistently obtained nearest neighbor Hubbard interaction are incl…
Quantum Monte Carlo Simulation of Bipolaron Superconductivity in Extended Hubbard--Holstein models on Face-Centered-Cubic and Body-Centered-Cubic Lattices
The Mott-Hubbard transition is studied in the context of the two-dimensional Hubbard model. Analytical calculations show the existence of a critical value Uc of the potential strength which separates a paramagnetic metallic phase from a paramagnetic insulating phase. Calculations of the density of states and double occupancy show that the ground state in the insulating phase contains always a small fraction of empty and doubly occupied sites. The structure of the ground state is studied by considering the probability amplitude of intersite hopping. The results indicate that the ground state of…
We have studied an effect of uniaxial strain to the temperature of Bose-Einstein condensation of intersite bipolarons within the framework of Extended Holstein-Hubbard model. Uniaxial lattice strains are taken into an account by introducing a generalized density-displacement type force for electron-lattice interaction. Associating the superconducting critical temperature $T_c$ with the temperature of Bose-Einstein condensation $T_{BEC}$ of intersite bipolarons we have calculated strain derivatives of $T_{BEC}$ and satisfactorily explained the results of the experiments on La-based high-$T_c$ f…
We investigate the Landau parameters for the instabilities in spin and charge channels in the nondegenerate extended Hubbard model with intersite Coulomb and exchange interactions. To this aim we use the spin rotationally invariant slave boson approach and we determine the necessary inverse propagator matrix. The analytically derived spin Landau parameter $F_0^a$ for the half filled band uncovers the intrinsic instability of the nondegenerate Hubbard model towards ferromagnetism --- negative intersite exchange interaction triggers a ferromagnetic instability at half filling before the metal-in…
To treat effects of electron correlations in geometrically frustrated pyrochlore and checkerboard lattices, an extended single-orbital Hubbard model with nearest neighbor hopping $\sim t$ and Coulomb repulsion $\sim V$ is applied. Infinite on-site repulsion, $U\to\infty$, is assumed, thus double occupancies of sites are forbidden completely in the present study. A variational Gutzwiller type approach is extended to examine correlations due to short-range $V-$interaction and a cluster approximation is developed to evaluate a variational ground state energy of the system. Obtained analytically i…
The theory of correlated electrons is currently moving beyond the paradigmatic Hubbard $U$, towards the investigation of intersite Coulomb interactions. Recent investigations have revealed that these interactions are relevant for the quantitative description of realistic materials. Physically, intersite interactions are responsible for two rather different effects: screening and bandwidth renormalization. We use a variational principle to disentangle the roles of these two processes and study how appropriate the recently proposed Fock treatment of intersite interactions is in correlated system…
An overarching question in strongly correlated electron systems is how the landscape of quantum phases emerges from electron correlations. The method of extended dynamical mean field theory (EDMFT) has been developed for clean lattice models of the correlated electrons. For such models, not only onsite Hubbard-like interactions are important, but so are intersite interactions. Importantly, the EDMFT method treats the interplay between the onsite and intersite interactions dynamically. It was initially formulated for models of the two-band Anderson-lattice type with intersite interactions, as w…
A microscopic theory of superconductivity in the extended Hubbard model which takes into account the intersite Coulomb repulsion and electron-phonon interaction is developed in the limit of strong correlations. The Dyson equation for normal and pair Green functions expressed in terms of the Hubbard operators is derived. The self-energy is obtained in the noncrossing approximation. In the normal state, antiferromagnetic short-range correlations result in the electronic spectrum with a narrow bandwidth. We calculate superconducting Tc by taking into account the pairing mediated by charge and spi…
We investigate the electron-energy loss spectrum of one-dimensional undoped CuO$_{3}$ chains within an extended multi-band Hubbard model and an extended one-band Hubbard model, using the standard Lanczos algorithm. Short-range intersite Coulomb interactions are explicitly included in these models, and long-range interactions are treated in random-phase approximation. The results for the multi-band model with standard parameter values agree very well with experimental spectra of Sr$_{2}$CuO$_{3}$. In particular, the width of the main structure is correctly reproduced for all values of momentum …
We develop an extension of the Gutzwiller Approximation (GA) formalism that includes the effects of Coulomb interactions of arbitrary range (including density density, exchange, pair hopping and Coulomb assisted hopping terms). This formalism reduces to the ordinary GA formalism for the multi-band Hubbard models in the presence of only local interactions. This is accomplished by combining the 1/z expansion -- where z is the coordination number and only the leading order terms contribute in the limit of infinite dimensions -- with a P^2-I expansion, where P is the Gutzwiller projector. The meth…
We analyze the effect of intersite-interaction terms on the stability of the coexisting superconucting-nematic phase (SC+N) within the extended Hubbard and $t$-$J$-$U$ models on the square lattice. In order to take into account the correlation effects with a proper precision, we use the approach based on the \textit{diagrammatic expansion of the Gutzwiller wave function} (DE-GWF), which goes beyond the renormalized mean field theory (RMFT) in a systematic manner. As a starting point of our analysis we discuss the stability region of the SC+N phase on the intrasite Coulomb repulsion-hole doping…
In this article, we propose an energy functional at the level of DFT+U+V that allows us to compute self-consistently the values of the on-site interaction, Hubbard U and Hund J, as well as the intersite interaction V. This functional extends the previously proposed ACBN0 functional [Phys. Rev. X 5, 011006 (2015)] including both on-site and intersite interactions. We show that this ab initio self-consistent functional yields improved electronic properties for a wide range of materials, ranging from $sp$ materials to strongly-correlated materials. This functional can also be seen as an alternati…
Here we consider an interacting electron-phonon system within the framework of extended Holstein-Hubbard model at strong enough electron-phonon interaction limit in which (bi)polarons are the essential quasiparticles of the system. It is assumed that the electron-phonon interaction is screened and its potential has Yukawa-type analytical form. An effect of screening of the electron-phonon interaction on the temperature of Bose-Einstein condensation of the intersite bipolarons is studied for the first time. It is revealed that the temperature of Bose-Einstein condensation of intersite bipolaron…
We study the phase diagram at finite temperature of a system of Fermi particles on the sites of the Bethe lattice with coordination number z and interacting through onsite U and nearest-neighbor V interactions. This is a physical realization of the extended Hubbard model in the atomic limit. By using the equations of motion method, we exactly solve the model. For an attractive intersite potential, we find, at half filling, a phase transition towards a broken particle-hole symmetry state. The critical temperature, as a function of the relevant parameters, has a re-entrant behavior as already ob…
We study the Gutzwiller method for the spinless fermion model in one dimension, which is one of the simplest models that incorporates the intersite Coulomb interaction. The Gutzwiller solution of this model has been studied in the literature but with differing results. We obtain the Gutzwiller solution of the problem by a careful enumeration of the many-particle configurations and explain the origin of the discrepancy in the literature to be due to the neglect of the correlation between the neighbouring bond occupancies. The correct implementation of the Gutzwiller approach yields results diff…
Using tight-binding models and first-principles calculations, we demonstrate the possibility to achieve a quantum anomalous Hall (QAH) phase on a two-dimensional square lattice, which can be realized in monolayers of double perovskites. We show that effective intersite spin-orbit coupling between eg orbitals can be induced perturbatively, giving rise to a QAH state. Moreover, the effective spin-orbit coupling can be enhanced by octahedral rotations. Based on first-principles calculations, we propose that this type of QAH state could be realized in La2MnIrO6 monolayers, with the size of the gap…
We present studies of an effective model which is a simple generalization of the standard model of a local pair superconductor with on-site pairing (i.e., the model of hard core bosons on a lattice) to the case of finite pair binding energy. The tight binding Hamiltonian consists of (i) the effective on-site interaction U, (ii) the intersite density-density interactions W between nearest-neighbours, and (iii) the intersite charge exchange term I, determining the hopping of electron pairs between nearest-neighbour sites. In the analysis of the phase diagrams and thermodynamic properties of this…
We study with exact diagonalization the zero temperature properties of the quarter-filled extended Hubbard model on a square lattice. We find that increasing the ratio of the intersite Coulomb repulsion, $V$, to the band width drives the system from a metal to a charge ordered insulator. The evolution of the optical conductivity spectrum with increasing $V$ is compared to the observed optical conductivity of several layered molecular crystals with the theta and beta'' crystal structures.
For superconducting nanowire with the pairing of extended s-type symmetry, Rashba spin-orbit interaction in a magnetic field, the influence of strong intersite charge correlations on single-particle Majorana excitations is analyzed. This problem is investigated on the basis of the density matrix renormalization group numerical method. It is shown that with an increase in the repulsion intensity of electrons located at the neighboring sites, two subbands emerge in the lower Hubbard band of the open system. Based on calculations of the Majorana polarization and degeneracy of the entanglement spe…
The papaer shows how the known, exact results for the two electron bound states can modify the ground state phase diagram of extended Hubbard model (EHM) for on-site attraction, intersite repulsion and arbitrary electron density. The main result is suppression of the superconducting state in favor of normal phase for small charge densities.
We present studies of the atomic limit of the extended Hubbard model with pair hopping for arbitrary electron density and arbitrary chemical potential. The Hamiltonian consists of (i) the effective on-site interaction $U$ and (ii) the intersite charge exchange term $I$, determining the hopping of electron pairs between nearest-neighbour sites. In the analysis of the phase diagrams and thermodynamic properties of this model we treat the intersite interactions within the mean-field approximation. In this report we focus on metastable phases and determine their ranges of occurrence. Our investiga…
We have studied the extended Hubbard model in the atomic limit. The Hamiltonian analyzed consists of the effective on-site interaction U and the intersite density-density interactions Wij (both: nearest-neighbour and next-nearest-neighbour). The model can be considered as a simple effective model of charge ordered insulators. The phase diagrams and thermodynamic properties of this system have been determined within the variational approach, which treats the on-site interaction term exactly and the intersite interactions within the mean-field approximation. Our investigation of the general case…
Moiré materials formed in two-dimensional semiconductor heterobilayers are quantum simulators of Hubbard-like physics with unprecedented electron-density and interaction-strength tunability. Compared to atomic scale Hubbard-like systems, electrons or holes in moiré materials are less strongly attracted to their effective lattice sites because these are defined by finite-depth potential extrema. As a consequence, non-local interaction terms like interaction-assisted hopping and intersite-exchange are more relevant. We theoretically demonstrate the possibility of tuning the strength of these cou…
In this paper, we study the Hubbard model with intersite Coulomb interaction in the ionic limit (i.e. no kinetic energy). It is shown that this model is isomorphic to the spin-1 Ising model in presence of a crystal field and an external magnetic field. We show that for such models it is possible to find, for any dimension, a finite complete set of eigenoperators and eigenvalues of the Hamiltonian. Then, the hierarchy of the equations of motion closes and analytical expressions for the relevant Green's functions and correlation functions can be obtained. These expressions are formal because the…
We present a comprehensive ellipsometric study of an untwinned, nearly stoichiometric LaMnO_3 crystal in the spectral range 1.2-6.0 eV at temperatures 20 K < T < 300 K. The complex dielectric response along the b and c axes of the Pbnm orthorhombic unit cell, ε^b(ν) and ε^c(ν), is highly anisotropic over the spectral range covered in the experiment. The difference between ε^b(ν) and ε^c(ν) increases with decreasing temperature, and the gradual evolution observed in the paramagnetic state is strongly enhanced by the onset of A-type antiferromagnetic long-range order at T_N = 139.6 K. In additio…
We investigate the microscopic dynamics at the initial stage of photoinduced phase transitions in tetrathiafulvalene-$p$-chloranil by exact diagonalization. We first show that the one-dimensional extended Peierls-Hubbard model exhibits a neutral phase with small ionicity and negligible dimerization and an ionic phase with moderate ionicity and dimerization. Aside from these phases, we find a doubly ionized phase with strong dimerization that we call the "dipole" phase. These ground-state phases are characterized by various order parameters and the Zak phase, which is relevant to electronic pol…
Spectral ellipsometry has been used to determine the dielectric function of an untwinned crystal of LaMnO_3 in the spectral range 0.5-5.6 eV at temperatures 50 K < T < 300 K. A pronounced redistribution of spectral weight is found at the Neel temperature T_N = 140 K. The anisotropy of the spectral weight transfer matches the magnetic ordering pattern. A superexchange model quantitatively describes spectral weight transfer induced by spin correlations. This analysis implies that the lowest-energy transitions around 2 eV are intersite d-d transitions, and that LaMnO_3 is a Mott-Hubbard insulator…
We present a strong-coupling expansion of the Bose-Hubbard model which describes both the superfluid and the Mott phases of ultracold bosonic atoms in an optical lattice. By performing two successive Hubbard-Stratonovich transformations of the intersite hopping term, we derive an effective action which provides a suitable starting point to study the strong-coupling limit of the Bose-Hubbard model. This action can be analyzed by taking into account Gaussian fluctuations about the mean-field approximation as in the Bogoliubov theory of the weakly interacting Bose gas. In the Mott phase, we repro…
We propose a microscopic theory of superconductivity for systems with strong electron correlations such as cuprates in the framework of the extended Hubbard model where the intersite Coulomb repulsion and electron-phonon interaction are taken into account. The Dyson equation for the normal and pair Green functions for the Hubbard operators (HOs) is derived. Due to the unconventional commutation relations for the HOs, a specific kinematical interaction of electrons with spin and charge fluctuations with a large coupling constant of the order of the kinetic energy of electrons $W$ emerges that r…
We have made a variational analysis on an evolution of superconductivity from weak to strong coupling regime. In contrast to a crossover without thermodynamic anomaly found in a dilute system, we show the existence of a quantum phase transition near half filling. The transition is driven by charge density waves instabilities. We have found that superconductivity and charge density waves coexist in the presence of a weak intersite repulsion. The ground state phase diagram is determined and the quantum phase transition is an attractive version of the Mott transition.
We examine the density-density correlation function in the Tomonaga-Luttinger liquid state for the one-dimensional extended Hubbard model with the on-site Coulomb repulsion $U$ and the intersite repulsion $V$ at quarter filling. By taking into account the effect of the marginally irrelevant umklapp scattering operator by utilizing the renormalization-group technique based on the bosonization method, we obtain the generalized analytical form of the correlation function. We show that, in the proximity to the gapped charge-ordered phase, the correlation function exhibits anomalous crossover betwe…
Doped Hubbard model is a simple model for the high-Tc cuprate superconductors, while its ground state remains a challenge. Here, by performing state-of-the-art variational Monte Carlo calculations for the strong-coupling Hubbard model, we find evidences that the d-wave superconducting phase emerges always near the phase separation region and the superconducting order has one-to-one correspondence with the enhancement of charge compressibility. The order as well as the phase separation are vulnerable to realistic intersite Coulomb interaction while the superexchange interaction enhances both. A…
To explore nontrivial photoinduced modulations of charge correlations, we theoretically study photoinduced dynamics in quarter-filled extended Hubbard models with competing intersite repulsive interactions on triangular lattices with trimers, where the end points are crystallographically equivalent. The exact diagonalization method is used and the time-dependent Schrödinger equation is numerically solved during and after photoexcitation. Time-averaged double occupancy and intersite density-density correlations can be interpreted as due to effective on-site and intersite repulsive interactions,…
Many-electron dynamics induced by a symmetric monocycle electric-field pulse of large amplitude is theoretically investigated in one- and two-dimensional half-filled extended Hubbard models on regular lattices (i.e., without dimerization) using the exact diagonalization method for small systems and the Hartree-Fock approximation for large systems. The formation of a negative-temperature state and the change from repulsive interactions to effective attractive interactions are shown to be realized for a wide region of the field amplitude and the excitation energy. For a nonnegligible intersite r…
We discuss a reduction of superconducting transition temperature by the intersite Coulomb repulsion for the d-wave pairing in cuprates. We compare the results found for the spin-fermion model and the extended Hubbard model. We argue that in both the models the d-wave superconducting transition temperature is reduced by the Coulomb repulsion of holes in different unit cells. We also show that in the strong correlation limit the s-wave superconductivity cannot occur due to the kinematic restriction of no double occupancy in the Hubbard subbands.
Using extended dynamical mean-field theory and its combination with the $GW$ approximation, we compute the phase diagrams and local spectral functions of the single-band extended Hubbard model on the square and simple cubic lattices, considering long range interactions up to the third nearest neighbors. The longer range interactions shift the boundaries between the metallic, charge-ordered insulating and Mott insulating phases, and lead to characteristic changes in the screening modes and local spectral functions. Momentum-dependent self-energy contributions enhance the correlation effects and…
We present an algorithm which combines the quantum trajectory approach to open quantum systems with a density-matrix renormalization group scheme for infinite one-dimensional lattice systems. We apply this method to investigate the long-time dynamics in the Bose-Hubbard model with local particle loss starting from a Mott-insulating initial state with one boson per site. While the short-time dynamics can be described even quantitatively by an equation of motion (EOM) approach at the mean-field level, many-body interactions lead to unexpected effects at intermediate and long times: local particl…
Motivated by the gigantic nonlinear optical response in the halogen-bridged Ni-compounds, the underlying electronic states of the compounds are examined in the one-dimensional two-band Hubbard model, by studying the current-current correlation function and the charge density in the ground state. The dynamical density matrix renormalization group method is employed. We find that the low-energy peak of the correlation function consists of a single Lorentzian component for a parameter range appropriate to the compounds. This is due to an excitonic state induced by the intersite Coulomb repulsion …
The paper examines part of the ground state diagram of the extended Hubbard model, with the on-site attraction U<0 and intersite repulsion W>0 in the presence of charge density waves, superconducting and $η$-superconducting order parameters. We show the possibility of the stabilization of the mixed state, with all three nonzero order parameters, in the model with nearest neighbor interactions. The other result of the paper is application of the exact solution of the Schrodinger equation for the two electron bound state, as an additional bound for the phase diagram of the model, resulting in th…
We investigate formation and condensation of fermion pairs in cold-atom quantum simulators for extended Hubbard models ($UV$ models) with body-centered-cubic (BCC) optical lattices in the dilute limit, predicting small and light pairs. Pair mass, radius, and binding conditions are calculated, and used to compute transition temperatures. We predict that: (a) local pairs form in BCC optical lattices and binding energies can be large; (b) for particular cases where onsite $U$ and intersite $V$ are attractive with similar size, pairs are both small and light; and (c) pairs of $^6$Li atoms Bose--Ei…
Using the Lanczos exact-diagonalization and density-matrix renormalization group methods, we study the extended Hubbard model at quarter filling defined on the anisotropic triangular lattice. We focus on charge ordering (CO) phenomena induced by onsite and intersite Coulomb interactions. We determine the ground-state phase diagram including three CO phases, i.e., diagonal, vertical, and three-fold CO phases, based on the calculated results of the hole density and double occupancy. We also calculate the dynamical density-density correlation functions and find possible coexistence of the diagona…
An analytical solution of the Mott transition is obtained for the Hubbard model on the Bethe lattice in the large coordination number ($z$) limit. The excitonic binding of doublons (doubly occupied sites) and holons (empty sites) is shown to be the origin of a continuous Mott transition between a metal and an emergent quantum spin liquid insulator. The doublon-holon binding theory enables a different large-$z$ limit and a different phase structure than the dynamical meanfield theory by allowing intersite spinon correlations to lift the $2^N$-fold degeneracy of the local moments in the insulati…
