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We study the half-filled Hubbard model on a one-parameter family of vortex-full square lattices ranging from the isotropic case to weakly coupled Hubbard dimers. The ground-state phase diagram consists of four phases: A semimetal and a band insulator which are connected to the weak-coupling limit, and a magnetically ordered Néel phase and a valence bond solid (VBS) which are linked to the strong-coupling Mott limit. The phase diagram is obtained by quantum Monte Carlo (QMC) and continuous unitary transformations (CUTs). The CUT is performed in a two-step process: Nonperturbative graph-based CUTs are used in the Mott insulating phase to integrate out charge fluctuations. The resulting effective spin model is tackled by perturbative CUTs about the isolated dimer limit yielding the breakdown of the VBS by triplon condensation. We find three scenarios when varying the interaction for a fixed anisotropy of hopping amplitudes: (i) one direct phase transition from Néel to semimetal, (ii) two phase transitions VBS to Néel and Néel to semimetal, or (iii) a smooth crossover from VBS to the band insulator. Our results are consistent with the absence of spin-liquid phases in the whole phase diagram. [ABSTRACT FROM AUTHOR]

We study the Josephson current 0-TT transition of a quantum dot tuned to the Kondo regime. The physics can be quantitatively captured by the numerically exact continuous time quantum Monte Carlo method applied to the single-impurity Anderson model with Bardeen-Cooper-Schrieffer superconducting leads. For a comparison to an experiment, the tunnel couplings are determined by fitting the normal-state linear conductance. Excellent agreement for the dependence of the critical Josephson current on the level energy is achieved. For increased tunnel couplings the Kondo scale becomes comparable to the superconducting gap, and the regime of the strongest competition between superconductivity and Kondo correlations is reached; we predict the gate voltage dependence of the critical current in this regime. [ABSTRACT FROM AUTHOR]

We investigate electronic correlation effects on edge states of quantum spin Hall insulators within the Kane-Mele-Hubbard model by means of quantum Monte Carlo simulations. Given the (7(1) spin symmetry Bnd time-reversal invariance, the low-energy theory is the helical Tomanaga-Luttinger model, with forward scattering only. For weak to intermediate interactions, this model correctly describes equal-time spin and charge correlations, including their doping dependence. As apparent from the Drude weight, bulk states become relevant in the presence of electron-electron interactions, rendering the forward-scattering model incomplete. Strong correlations give rise to slowly decaying transverse spin fluctuations, and inelastic spin-flip scattering strongly modifies the single-particle spectrum, leading to graphenelike edge state signatures. The helical Tomanaga-Luttinger model is completely valid only asymptotically in the weak-coupling limit. [ABSTRACT FROM AUTHOR]

Inspired by recent experiments on 3He films between one and two atoms thick, we consider a bilayer Hubbard model on a triangular lattice. Our results are obtained in the framework of a cluster dynamical mean-field calculation with a quantum Monte Carlo impurity solver. For appropriate model parameters, we observe an enhancement of the effective mass as the first layer approaches integer filling and the second remains only partially filled. At finite temperatures, this increase of the effective mass-or, equivalently, the decrease of the coherence temperature-leads to a crossover to a state where the first-layer fermions localize, drop out of the Luttinger volume, and generate essentially free local moments. This finite temperature behavior is shown to be robust against the cluster size above some critical temperature. The zero-temperature phase diagram, however, depends on the cluster topology. In particular, for clusters with an even number of unit cells, the growth of the effective mass is cut off by a first-order, orbital-selective Mott transition. [ABSTRACT FROM AUTHOR]

We investigate metamagnetic transitions in models for heavy fermions by considering the doped Kondo lattice model in two dimensions. Results are obtained within the framework of dynamical mean field and dynamical cluster approximations. Universal magnetization curves for different temperatures and Kondo couplings develop upon scaling with the lattice coherence temperature. Furthermore, the coupling of the local moments to the magnetic field is varied to take into account the different Landé factors of localized and itinerant electrons. The competition between the lattice coherence scale and the Zeeman energy scale allows for two interpretations of the metamagnetism in heavy fermions: Kondo breakdown or Lifshitz transitions. By tracking the single-particle residue through the transition, we can uniquely conclude in favor of the Lifshitz transition scenario. In this scenario, a quasiparticle band drops below the Fermi energy which leads to a change in topology of the Fermi surface. [ABSTRACT FROM AUTHOR]

Using quantum Monte Carlo simulations along with higher-order spin-wave theory, bond-operator and strongcoupling expansions, we analyze the dynamical spin structure factor of the spin-half Heisenberg model on the square-lattice bilayer. We identify distinct contributions from the low-energy Goldstone modes in the magnetically ordered phase and the gapped triplon modes in the quantum disordered phase. In the antisymmetric (with respect to layer inversion) channel, the dynamical spin structure factor exhibits a continuous evolution of spectral features across the quantum phase transition, connecting the two types of modes. Instead, in the symmetric channel, we find a depletion of the spectral weight when moving from the ordered to the disordered phase. While the dynamical spin structure factor does not exhibit a well-defined distinct contribution from the amplitude (or Higgs) mode in the ordered phase, we identify an only marginally damped amplitude mode in the dynamical singlet structure factor, obtained from interlayer bond correlations, in the vicinity of the quantum critical point. These findings provide quantitative information in direct relation to possible neutron or light scattering experiments in a fundamental two-dimensional quantum-critical spin system. [ABSTRACT FROM AUTHOR]

The one-dimensional Holstein model and its generalizations have been studied extensively to understand the effects of electron-phonon interaction. The half-filled case is of particular interest, as it describes a transition from a metallic phase with a spin gap due to attractive backscattering to a Peierls insulator with charge-density-wave order. Our quantum Monte Carlo results support the existence of a metallic phase with dominant power-law charge correlations, as described by the Luther-Emery fixed point. We demonstrate that for Holstein and also for purely fermionic models the spin gap significantly complicates finite-size numerical studies, and explains inconsistent previous results for Luttinger parameters and phase boundaries. On the other hand, no such complications arise in spinless models. The correct low-energy theory of the spinful Holstein model is argued to be that of singlet bipolarons with a repulsive, mutual interaction. This picture naturally explains the existence of a metallic phase, but also implies that gapless Luttinger liquid theory is not applicable. [ABSTRACT FROM AUTHOR]

The question of whether electron-electron interactions can drive a metal to insulator transition in graphene under realistic experimental conditions is addressed. Using three representative methods to calculate the effective long-range Coulomb interaction between n electrons in graphene and solving for the ground state using quantum Monte Carlo methods, we argue that, without strain, graphene remains metallic and changing the substrate from SiO2 to suspended samples hardly makes any difference. In contrast, applying a rather large-but experimentally realistic-uniform and isotropic strain of about 15% seems to be a promising route to making graphene an antiferromagnetic Mott insulator. [ABSTRACT FROM AUTHOR]

We determine the phase diagram of the Kane-Mele model with a long-range Coulomb interaction using an exact quantum Monte Carlo method. Long-range interactions are expected to play a role in honeycomb materials because the vanishing density of states in the semimetallic weak-coupling phase suppresses screening. According to our results, the Kane-Mele-Coulomb model supports the same phases as the Kane-Mele-Hubbard model. The nonlocal part of the interaction promotes short-range sublattice charge fluctuations, which compete with antiferromagnetic order driven by the onsite repulsion. Consequently, the critical interaction for the magnetic transition is significantly larger than for the purely local Hubbard repulsion. Our numerical data are consistent with SU(2) Gross-Neveu universality for the semimetal to antiferromagnet transition, and with 3D XY universality for the quantum spin Hall to antiferromagnet transition. [ABSTRACT FROM AUTHOR]

We study the two-dimensional Kane-Mele-Hubbard model at half filling by means of quantum Monte Carlo simulations. We present a refined phase boundary for the quantum spin liquid. The topological insulator at finite Hubbard interaction strength is adiabatically connected to the groundstate of the Kane-Mele model. In the presence of spin-orbit coupling, magnetic order at large Hubbard U is restricted to the transverse direction. The transition from the topological band insulator to the antiferromagnetic Mott insulator is in the universality class of the three-dimensional XY model. The numerical data suggest that the spin liquid to topological insulator and spin liquid to Mott insulator transitions are both continuous. [ABSTRACT FROM AUTHOR]

In conventional quasi-one-dimensional antiferromagnets with quantum spins, magnetic excitations are carried by either magnons or spinons in different energy regimes: they do not coexist independently, nor could they interact with each other. In this Letter, by combining inelastic neutron scattering, quantum Monte Carlo simulations, and random phase approximation calculations, we report the discovery and discuss the physics of the coexistence of magnons and spinons and their interactions in Botallackite-Cu2 (OH)3 Br. This is a unique quantum antiferromagnet consisting of alternating ferromagnetic and antiferromagnetic spin- 1 / 2 chains with weak interchain couplings. Our study presents a new paradigm where one can study the interaction between two different types of magnetic quasiparticles: magnons and spinons. [ABSTRACT FROM AUTHOR]

Interaction-driven topological phase transitions in Dirac semimetals are investigated by means of large-scale quantum Monte Carlo simulations. The interaction among Dirac fermions is introduced by coupling them to Ising spins that realize the quantum dynamics of the two-dimensional transverse field Ising model. The ground-state phase diagram, in which the tuning parameters are the transverse field and the coupling between fermion and Ising spins, is determined. At weak and intermediate coupling, a second-order Ising quantum phase transition and a first-order topological phase transition between two topologically distinct Dirac semimetals are observed. Interestingly, at the latter, the Dirac points smear out to form nodal lines in the Brillouin zone, and collective bosonic fluctuations with SO(4) symmetry are strongly enhanced. At strong coupling, these two phase boundaries merge into a first-order transition. [ABSTRACT FROM AUTHOR]

The question of whether electron-electron interactions can drive a metal to insulator transition in graphene under realistic experimental conditions is addressed. Using three representative methods to calculate the effective long-range Coulomb interaction between π electrons in graphene and solving for the ground state using quantum Monte Carlo methods, we argue that, without strain, graphene remains metallic and changing the substrate from SiO_{2} to suspended samples hardly makes any difference. In contrast, applying a rather large-but experimentally realistic-uniform and isotropic strain of about 15% seems to be a promising route to making graphene an antiferromagnetic Mott insulator.

We report on the results of a high-resolution angle-resolved photoemission study on the ordered surface alloy CePt(5). The temperature dependence of the spectra show the formation of the coherent low-energy heavy-fermion band near the Fermi level. These experimental data are supported by a multiband model calculation in the framework of the dynamical mean-field theory.

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.

We use the dynamical cluster approximation, with a quantum Monte Carlo cluster solver on clusters of up to 16 orbitals, to investigate the evolution of the Fermi surface across the magnetic order-disorder transition in the two-dimensional doped Kondo lattice model. In the paramagnetic phase, we observe the generic hybridized heavy-fermion band structure with large Luttinger volume. In the antiferromagnetic phase, the heavy-fermion band drops below the Fermi surface giving way to hole pockets centered around k=(pi/2,pi/2) and equivalent points. In this phase Kondo screening does not break down, but the topology of the resulting Fermi surface is that of a spin-density wave approximation in which the localized spins are frozen.

We consider a spin-1/2 ladder with a ferromagnetic rung coupling J perpendicular and inequivalent chains. This model is obtained by a twist (theta) deformation of the ladder and interpolates between the isotropic ladder (theta=0) and the SU(2) ferromagnetic Kondo necklace model (theta = pi). We show that the ground state in the (theta, J perpendicular) plane has a finite string order parameter characterizing the Haldane phase. Twisting the chain introduces a new energy scale, which we interpret in terms of a Suhl-Nakamura interaction. As a consequence we observe a crossover in the scaling of the spin gap at weak coupling from delta/J parallel proportional, variant J perpendicular/J parallel for theta < theta c approximately 8 pi/9 to delta/J parallel proportional, variant (J perpendicular/J parallel)2 for theta > theta c. Those results are obtained on the basis of large scale quantum Monte Carlo calculations.

We develop a projective quantum Monte Carlo algorithm of the Hirsch-Fye type for obtaining ground state properties of the Anderson impurity model. This method is employed to solve the self-consistency equations of dynamical mean field theory. It is shown that the approach converges rapidly to the ground state so that reliable zero-temperature results are obtained. As a first application, we study the Mott-Hubbard metal-insulator transition of the frustrated one-band Hubbard model, reconfirming the numerical renormalization group results.

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.

Using a newly developed hybrid Monte Carlo algorithm for the nearest-neighbor (nn) t-J model, we show that antiholons identified in the supersymmetric inverse squared (IS) t-J model are clearly visible in the electron-addition spectrum of the nn t-J model at J=2t and also for J=0.5t, a value of experimental relevance.