We show that the two recently proposed methods to compute Renyi entanglement entropies in the realm of determinant quantum Monte Carlo methods for fermions are in principle equivalent, but differ in sampling strategies. The analogy allows to formulat
e a numerically stable calculation of the entanglement spectrum at strong coupling. We demonstrate the approach by studying static and dynamical properties of the entanglement hamiltonian across the interaction driven quantum phase transition between a topological insulator and quantum antiferromagnet in the Kane-Mele Hubbard model. The formulation is not limited to fermion systems and can readily be adapted to world-line based simulations of bosonic systems.
We use quantum Monte Carlo simulations to study a finite-temperature dimensional-crossover-driven evolution of spin and charge dynamics in weakly coupled Hubbard chains with a half-filled band. The low-temperature behavior of the charge gap indicates
a crossover between two distinct energy scales: a high-energy one-dimensional (1D) Mott gap due to the umklapp process and a low-energy gap which stems from long-range antiferromagnetic (AF) fluctuations. Away from the 1D regime and at temperature scales above the charge gap, the emergence of a zero-frequency Drude-like feature in the interchain optical conductivity $sigma_{perp}(omega)$ implies the onset of a higher-dimensional metal. In this metallic phase, enhanced quasiparticle scattering off finite-range AF fluctuations results in incoherent single-particle dynamics. The coupling between spin and charge fluctuations is also seen in the spin dynamical structure factor $S({pmb q},omega)$ displaying damped spin excitations (paramagnons) close to the AF wave-vector ${pmb q}=(pi,pi)$ and particle-hole continua near 1D momentum transfers spanning quasiparticles at the Fermi surface. We relate our results to the charge deconfinement in quasi-1D organic Bechgaard-Fabre salts.
Using large-scale determinant quantum Monte Carlo simulations in combination with the stochastic analytical continuation, we study two-particle dynamical correlation functions in the anisotropic square lattice of weakly coupled one-dimensional (1D) H
ubbard chains at half-filling and in the presence of weak frustration. The evolution of the static spin structure factor upon increasing the interchain coupling is suggestive of the transition from the power-law decay of spin-spin correlations in the 1D limit to long-range antiferromagnetic order in the quasi-1D regime and at $T=0$. In the numerically accessible regime of interchain couplings, the charge sector remains gapped. The low-energy momentum dependence of the spin excitations is well described by the linear spin-wave theory with the largest intensity located around the antiferromagnetic wave vector. This magnon mode corresponds to a bound state of two spinons. At higher energies the spinons deconfine and we observe signatures of the two-spinon continuum which progressively fade away as a function of interchain hopping.
In numerical simulations, spontaneously broken symmetry is often detected by computing two-point correlation functions of the appropriate local order parameter. This approach, however, computes the square of the local order parameter, and so when it
is {it small}, very large system sizes at high precisions are required to obtain reliable results. Alternatively, one can pin the order by introducing a local symmetry breaking field, and then measure the induced local order parameter infinitely far from the pinning center. The method is tested here at length for the Hubbard model on honeycomb lattice, within the realm of the projective auxiliary field quantum Monte Carlo algorithm. With our enhanced resolution we find a direct and continuous quantum phase transition between the semi-metallic and the insulating antiferromagnetic states with increase of the interaction. The single particle gap in units of the Hubbard $U$ tracks the staggered magnetization. An excellent data collapse is obtained by finite size scaling, with the values of the critical exponents in accord with the Gross-Neveu universality class of the transition.
Topological insulators have become one of the most active research areas in condensed matter physics. This article reviews progress on the topic of electronic correlations effects in the two-dimensional case, with a focus on systems with intrinsic sp
in-orbit coupling and numerical results. Topics addressed include an introduction to the noninteracting case, an overview of theoretical models, correlated topological band insulators, interaction-driven phase transitions, topological Mott insulators and fractional topological states, correlation effects on helical edge states, and topological invariants of interacting systems.
We study the Mott transition in a frustrated Hubbard model with next-nearest neighbor hopping at half-filling. The interplay between interaction, dimensionality and geometric frustration closes the one-dimensional Mott gap and gives rise to a metalli
c phase with Fermi surface pockets. We argue that they emerge as a consequence of remnant one-dimensional Umklapp scattering at the momenta with vanishing interchain hopping matrix elements. In this pseudogap phase, enhanced d-wave pairing correlations are driven by antiferromagnetic fluctuations. Within the adopted cluster dynamical mean-field theory on the $8times 2$ cluster and down to our lowest temperatures the transition from one to two dimensions is continuous.
The effects of an electron-phonon ($e$-ph) interaction on the thermoelectric properties of Na$_x$CoO$_2$ are analyzed. By means of dynamical mean field theory calculations we find that the $e$-ph coupling acts in a cooperative way with the disorder,
enhancing the effective binary disorder potential strength on the Co sites, which stems from the presence or absence of a neighboring Na atom. Hence, the inclusion of the $e$-ph coupling allows us to assume smaller values of the binary disorder potential strength -- which for Na$_x$CoO$_2$ are in fact also more reasonable. More generally, we can conclude that the interplay between disorder effects and coupling to the lattice can be exploited to engineer more efficient thermoelectric materials.
The adiabatic insertion of a pi flux into a quantum spin Hall insulator gives rise to localized spin and charge fluxon states. We demonstrate that pi fluxes can be used in exact quantum Monte Carlo simulations to identify a correlated Z_2 topological
insulator using the example of the Kane-Mele-Hubbard model. In the presence of repulsive interactions, a pi flux gives rise to a Kramers doublet of spinon states with a Curie law signature in the magnetic susceptibility. Electronic correlations also provide a bosonic mode of magnetic excitons with tunable energy that act as exchange particles and mediate a dynamical interaction of adjustable range and strength between spinons. pi fluxes can therefore be used to build models of interacting spins. This idea is applied to a three-spin ring and to one-dimensional spin chains. Due to the freedom to create almost arbitrary spin lattices, correlated topological insulators with pi fluxes represent a novel kind of quantum simulator potentially useful for numerical simulations and experiments.
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 U(1) spin symmetry and time-reversal invariance, the low-energy the
ory 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 graphene-like edge state signatures. The helical Tomanaga-Luttinger model is completely valid only asymptotically in the weak-coupling limit.
The tunable magnetism at graphene edges with lengths of up to 48 unit cells is analyzed by an exact diagonalization technique. For this we use a generalized interacting one-dimensional model which can be tuned continuously from a limit describing gra
phene zigzag edge states with a ferromagnetic phase, to a limit equivalent to a Hubbard chain, which does not allow ferromagnetism. This analysis sheds light onto the question why the edge states have a ferromagnetic ground state, while a usual one-dimensional metal does not. Essentially we find that there are two important features of edge states: (a) umklapp processes are completely forbidden for edge states; this allows a spin-polarized ground state. (b) the strong momentum dependence of the effective interaction vertex for edge states gives rise to a regime of partial spin-polarization and a second order phase transition between a standard paramagnetic Luttinger liquid and ferromagnetic Luttinger liquid.
