Correlation effects in quantum spin-Hall insulators: a quantum Monte Carlo study

We consider the Kane-Mele model supplemented by a Hubbard U term. The phase diagram is mapped out using projective auxiliary field quantum Monte Carlo simulations. The quantum spin liquid of the Hubbard model is robust against weak spin-orbit interaction, and is not adiabatically connected to the spin-Hall insulating state. Beyond a critical value of U>U(c) both states are unstable toward magnetic ordering. In the quantum spin-Hall state we study the spin, charge, and single-particle dynamics of the helical Luttinger liquid by retaining the Hubbard interaction only on a ribbon edge. The Hubbard interaction greatly suppresses charge currents along the edge and promotes edge magnetism but leaves the single-particle signatures of the helical liquid intact.     

Coexistence of s-wave superconductivity and antiferromagnetism

We study the phase diagram of a new model that exhibits a first order transition between s-wave superconducting and antiferromagnetic phases. The model, a generalized Hubbard model augmented with competing spin-spin and pair-pair interactions, was investigated using the projector quantum Monte Carlo method. Upon varying the Hubbard U from attractive to repulsive, we find a first order phase transition between superconducting and antiferromagnetic states.     

Charge Stripes Due to Electron Correlations in the Two-Dimensional Spinless Falicov—Kimball Model

We calculate the restricted phase diagram for the Falicov–Kimball model on a two-dimensional square lattice. We consider the limit where the average conduction electron density is equal to the average localized electron density, which is the limit related to the S _z =0 states of the Hubbard model. After considering over 20,000 different candidate phases (with a unit cell of 16 sites or less) and their thermodynamic mixtures, we find only about 100 stable phases in the ground-state phase diagram, where the ground state is usually the phase separated mixture of two or three stable phases, that often have different electron densities than in the Maxwell-constructed mixture. We analyze these phases to describe where stripe phases occur and relate these discoveries (were appropriate) to the physics behind stripe formation in the Hubbard model.     

Slave-boson phase diagram of the two-dimensional extended Hubbard model: Influence of electron-phonon coupling

We present a detailed study of the extended Hubbard-Peierls model on a square lattice using the slave-boson method proposed by Kotliar and Ruckenstein. The emphasis is on the investigation of the ground state phase diagram. To compare the relative stability of several homogenous phases, the effective bosonized action was evaluated by means of a two-sublattice saddlepoint approximation which allows for the symmetry broken states compatible with the underlying bipartite lattice structure. Paying particular attention to the interplay of electron-electron and electron-phonon interaction, we take into account various types of magnetic ordered phases, i.e. para-, ferro-, ferri-, and antiferromagnetic states, as well as charge ordered phases, e.g. a static (, ) Peierls distorted state. Furthermore the approach has been applied to the following special cases: the Hubbard model, the extended Hubbard model, and the Hubbard-Peierls model. A careful numerical solution of the corresponding self-consistency equations enables us to map out the ground-state phase diagrams of the various models at arbitrary band filling over the whole range of interaction strength. In the phase diagram of the Hubbard model we found a large region with ferrimagnetic order away from half-filling. The phase diagram of the halffilled band extended Hubbard model shows a first-order transition from a spin-density-wave to a charge-density-wave state which is displaced from the mean-field lineU=4V towards largerV. At large negativeU andV we obtain a domain with charge separation. The phase compares favorably with earlier quantum Monte-Carlo results. Including the local electron-phonon coupling the charge-density-wave region is considerably enlarged. Away from half-filling the phase diagram becomes more complex: besides the pure magnetic phases we obtain ferri- and paramagnetic states which show additional charge-density order. Aspects of phase separation are discussed. Finally we investigate the variation of the different gap and order parameters along characteristic lines in the parameter space and determine the renormalized quasiparticle bands.     

Quasi‐particle peak due to magnetic order in strongly correlated electron systems

We study the electron spectral function of the antiferromagnetically ordered phase of the three dimensional Hubbard model, using recently formulated low‐energy theory based on the 2D half‐filled Hubbard model which describes both collective spin and charge fluctuations for arbitrary value of the Coulomb repulsion U. The model then is solved by a saddle‐point approximation within the CP¹ representation for the Neel field. The single‐particle properties are obtained by writing the fermion field in terms of a U(1) phase, Schwinger boson SU(2) fields and a pseudofermion variables. We demonstrate that the appearance of a sharp peak in the electron spectral function in the antiferromagnetic state points to the emergence of the bosonic mode, which is associated with spin ordering.     

Magnetic and electric phase transitions in the Hubbard model

Within the Hubbard model, two boson Green’s functions that describe the propagation of collective excitations of the electronic system—magnons (states with a single electron spin flip) and doublons (states with two electrons at one site of the crystal lattice)—are calculated for a Coulomb interaction of arbitrary strength and for an arbitrary electron concentration by applying a decoupling procedure to the double-time X-operator Green’s functions. It is found that the magnon and doublon Green’s functions are similar in structure and there is a close analogy between them. Instability of the paramagnetic phase with respect to spin ordering is investigated using the magnon Green’s function, and instability of the metallic phase to charge ordering is analyzed with the help of the doublon Green’s function. Criteria for the paramagnet-ferromagnet and metal-insulator phase transitions are found.     

Topological Mott insulators

We consider extended Hubbard models with repulsive interactions on a honeycomb lattice, and the transitions from the semimetal to Mott insulating phases at half-filling. Because of the frustrated nature of the second-neighbor interactions, topological Mott phases displaying the quantum Hall and the quantum spin Hall effects are found for spinless and spin fermion models, respectively. The mean-field phase diagram is presented and the fluctuations are treated within the random phase approximation. Renormalization group analysis shows that these states can be favored over the topologically trivial Mott insulating states.     

Coherent potential approximation study of the Mott transition in optical lattice system with site-dependent interactions

We study the Mott transition in the half-filled Hubbard model with spatially alternating interactions by means of the coherent potential approximation. The phase boundary between metallic and insulating phases at zero temperature is derived and the nature of the Mott states is also considered. Our results are in good agreement with the ones recently obtained by the two-site dynamical mean-field theory.     

Effect of atomic disorder and temperature on incommensurate helical spin waves in the Anderson–Hubbard model

Based on the single-band t–t' Anderson–Hubbard model, the effect of disorder on the parameters and ranges of existence of incommensurate helical spin waves is studied. The problem is solved within the functional integration theory in static approximation, taking into account longitudinal fluctuations of the magnetic moment. Magnetic phase diagrams and parameters of incommensurate helical spin waves are obtained as functions of temperatures and electron and impurity concentrations. It is shown that disorder can lead to the first-order transition from the antiferromagnetic phase to the (Q, π) phase and the metal–dielectric transition from antiferromagnetic metal to antiferromagnetic dielectric far from the half-filled band. The results obtained are used to explain the incommensurate magnetic order observed in cuprates in the overdoped mode.     

Superfluid-Mott-Insulator Phase Transition Phases of Bosons in an and Collective Fluctuations in both Optical Lattice

The Bose Hubbard model describing interacting bosons in an optical lattice is reduced to a simple spin-1 XY model with single-ion anisotropy in the vicinity of the Mott phase. In the strong coupling Mott insulating regime, we propose a mean t~eld theory based on a constraint SU（3） pseudo-boson representation on the effective model and discuss the excitation spectra and the phase transition to the superfluid state. Further to the superfluid phase, we use the coherent-state approach to derive the collective excitation modes. It is found that the Mort phase has two degenerate gapped quadratic excitation spectra which graduate into two degenerate gapless linear ones at the transition point, and one gapless linear mode with one gapped quadratic mode in the superfluid phase.     

Ground state phase diagram of the infinite dimensional Hubbard model: A variational study

We use the Gutzwiller variational method to study the ground state phase diagram of the infinite dimensional Hubbard model, paying special attention to features associated with the Gaussian form of the tight binding band density of states. We only consider trial states for which the validity of the Gutzwiller approximation has been proven, i.e., the paramagnetic, ferromagnetic, and two-sublattice antiferromagnetic states. We map out the phase diagram numerically, and give approximate analytic arguments to explain the behaviour in the small-U, and large-U limits. We give two versions of the phase diagram: one restricted to homogeneous phases, and another when phase separation is allowed. In the latter case, a homogeneous antiferromagnetic state is found only at exact half-filling, where the state is also insulating. Off half-filling, four different regions are found: pure paramagnetic, and ferromagnetic states, as well as antiferromagnetic-paramagnetic, and antiferromagnetic-ferromagnetic mixed phases.Dedicated to Professor W. Brenig on the occasion of his 60th birthdayResearch performed within the program of the Sonderforschungsbereich 341 supported by the Deutsche Forschungsgemeinschaft     

Magnetic and dynamic properties of the Hubbard model in infinite dimensions

An essentially exact solution of the infinite dimensional Hubbard model is made possible by using a self-consistent mapping of the Hubbard model in this limit to an effective single impurity Anderson model. Solving the latter with quantum Monte Carlo procedures enables us to obtain exact results for the one and two-particle properties of the infinite dimensional Hubbard model. In particular, we find antiferromagnetism and a pseudogap in the single-particle density of states for sufficiently large values of the intrasite Coulomb interaction at half filling. Both the antiferromagnetic phase and the insulating phase above the Néel temperature are found to be quickly suppressed on doping. The latter is replaced by a heavy electron metal with a quasiparticle mass strongly dependent on doping as soon asn<1. At half filling the antiferromagnetic phase boundary agrees surprisingly well in shape and order of magnitude with results for the three dimensional Hubbard model.     

Speed of sound in an optical lattice

A system of equal mixture of ⁶Li atomic Fermi gas of two hyperfine states loaded into a cubic three‐dimensional optical lattice is studied assuming a negative scattering length (BCS side of the Feshbach resonance). When the interaction is attractive, fermionic atoms can pair and form a superfluid. The dispersion of the phonon‐like mode and the speed of sound in the long‐wavelength limit are obtained by solving the Bethe‐Salpeter equations for the collective modes of the attractive Hubbard Hamiltonian.     

Collective quantum tunneling of strongly correlated electrons in commensurate mesoscopic rings

We present a new effect that is possible for strongly correlated electrons in commensurate mesoscopic rings: the collective tunneling of electrons between classically equivalent configurations, corresponding to ordered states possessing charge and spin density waves (CDW, SDW) and charge separation (CS). Within an extended Hubbard model at half filling studied by exact numerical diagonalization, we demonstrate that the ground state phase diagram comprises, besides conventional critical lines separating states characterized by different orderings (e.g. CDW, SDW, CS), critical lines separating phases with the same ordering (e.g. CDW-CDW) but with different symmetries. While the former also exist in infinite systems, the latter are specific for mesoscopic systems and directly related to a collective tunnel effect. We emphasize that, in order to construct correctly a phase diagram for mesoscopic rings, the examination of CDW, SDW and CS correlation functions alone is not sufficient, and one should also consider the symmetry of the wave function that cannot be broken. We present examples demonstrating that the jumps in relevant physical properties at the conventional and new critical lines are of comparable magnitude. These transitions could be studied experimentally e.g. by optical absorption in mesoscopic systems. Possible candidates are cyclic molecules and ring-like nanostructures of quantum dots. Received 27 November 2000     

Spin susceptibilities and the theory of itinerant-electron antiferromagnetism

This article investigates the equilibrium states of antiferromagnetic itinerant-electron systems in the Hartree-Fock approximation. As a result, the spin susceptibilities are determined in the random phase approximation. The lowlying collective excitations are then obtained by finding the poles of these susceptibilities.

We start by giving a brief review of the Hartree-Fock procedure and by indicating how the susceptibilities are obtained. The density matrix approach, where the ground state is interpreted as that minimizing the energy, is used throughout. Using an effective Coulomb interaction of the Hubbard type we consider two distinct systems: a one-band system with an incommensurate spin density wave in its ground state, and a many-band simply commensurate model for f.c.c. manganese.

The first of these is such that the band structure and resulting susceptibilities can be obtained explicitly. The spin-wave energies and wave-vectors are found by a careful, small energy and momentum transfer, expansion of these susceptibilities for the case of a parabolic band. The spin-wave damping, which is shown to arise from spin-wave decay into quasiparticle quasihole pairs, is also obtained for this band structure.

For the case of f.c.c. manganese the antiferromagnetic bands are obtained from a realistic 9-band paramagnetic model by using a many-band generalization of the Hubbard interaction. The enhanced spin susceptibilities are calculated, using the tetrahedral Brillouin zone integration method, and are presented along with their associated collective excitations. The results obtained are discussed with particular reference to the many-band effects. These effects are shown to be very much dependent on the particular form of interaction used.     

Incommmensurability and unconventional superconductor to insulator transition in the hubbard model with bond-charge interaction

We determine the quantum phase diagram of the one-dimensional Hubbard model with bond-charge interaction X in addition to the usual Coulomb repulsion U>0 at half-filling. For large enough X相似文献   

Quantum phases of the extended Bose-Hubbard hamiltonian: possibility of a supersolid state of cold atoms in optical lattices

Cold atom optical lattices typically simulate zero-range Hubbard models. We discuss the theoretical possibility of using excited states of optical lattices to generate extended range Hubbard models. We find that bosons confined to higher bands of optical lattices allow for a rich phase diagram, including the supersolid phase. Using Gutzwiller, mean-field theory we establish the parameter regime necessary to maintain metastable states generated by an extended Bose-Hubbard model.     

Real‐space multiple‐scattering Hubbard model calculations for d‐ and f‐state materials

Calculations are presented of the electronic structure and X‐ray spectra of materials with correlated d‐ and f‐electron states based on the Hubbard model, a real‐space multiple‐scattering formalism and a rotationally invariant local density approximation. Values of the Hubbard parameter are calculated ab initio using the constrained random‐phase approximation. The combination of the real‐space Green's function with Hubbard model corrections provides an efficient approach to describe localized correlated electron states in these systems, and their effect on core‐level X‐ray spectra. Results are presented for the projected density of states and X‐ray absorption spectra for transition metal‐ and lanthanide‐oxides. Results are found to be in good agreement with experiment.     

Excitation spectrum of one-dimensional extended ionic Hubbard model

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 spectrum by adding an electron or a hole to the system; (ii) the coherence-length and spectrum of electron-hole excitation are obtained. Our calculations reveal that for V = 0, there are two triplet bound state modes and three singlet modes, two anti-bound states and one bound state, while for finite values of V there are four excitonic bound states corresponding to two singlet and two triplet modes. The major role of on-site Coulomb repulsion U is to split singlet and triplet collective excitation branches, while V tends to pull the singlet branches below the continuum to make them bound states.     

Collective excitations and the nature of Mott transition in undoped gapped graphene

The particle-hole continuum (PHC) for massive Dirac fermions provides an unprecedented opportunity for the formation of two collective split-off states, one in the singlet and the other in the triplet (spin-1) channel, when the short-range interactions are added to the undoped system. Both states are close in energy and are separated from the continuum of free particle-hole excitations by an energy scale of the order of the gap parameter Δ. They both disperse linearly with two different velocities, reminiscent of spin-charge separation in Luttinger liquids. When the strength of Hubbard interactions is stronger than a critical value, the velocity of singlet excitation, which we interpret as a charge composite boson, becomes zero and renders the system a Mott insulator. Beyond this critical point the low-energy sector is left with a linearly dispersing triplet mode-a characteristic of a Mott insulator. The velocity of the triplet mode at the Mott criticality is twice the velocity of the underlying Dirac fermions. The phase transition line in the space of U and Δ is in qualitative agreement with our previous dynamical mean field theory calculations.