No Arabic abstract
We provide a unified, comprehensive treatment of all operators that contribute to the anti-ferromagnetic, ferromagnetic, and charge-density-wave structure factors and order parameters of the hexagonal Hubbard Model. We use the Hybrid Monte Carlo algorithm to perform a systematic, carefully controlled analysis in the temporal Trotter error and of the thermodynamic limit. We expect our findings to improve the consistency of Monte Carlo determinations of critical exponents. We perform a data collapse analysis and determine the critical exponent $beta=0.898(37)$ for the semimetal-Mott insulator transition in the hexagonal Hubbard Model. Our methods are applicable to a wide range of lattice theories of strongly correlated electrons.
We take advantage of recent improvements in the grand canonical Hybrid Monte Carlo algorithm, to perform a precision study of the single-particle gap in the hexagonal Hubbard model, with on-site electron-electron interactions. After carefully controlled analyses of the Trotter error, the thermodynamic limit, and finite-size scaling with inverse temperature, we find a critical coupling of $U_c/kappa=3.834(14)$ and the critical exponent $z u=1.185(43)$. Under the assumption that this corresponds to the expected anti-ferromagnetic Mott transition, we are also able to provide a preliminary estimate $beta=1.095(37)$ for the critical exponent of the order parameter. We consider our findings in view of the $SU(2)$ Gross-Neveu, or chiral Heisenberg, universality class. We also discuss the computational scaling of the Hybrid Monte Carlo algorithm, and possible extensions of our work to carbon nanotubes, fullerenes, and topological insulators.
Quantum phase transitions in the Hubbard model on the honeycomb lattice are investigated in the variational cluster approximation. The critical interaction for the paramagnetic to antiferromagnetic phase transition is found to be in remarkable agreement with a recent large-scale quantum Monte Carlo simulation. Calculated staggered magnetization increases continuously with $U$ and thus we find the phase transition is of a second order. We also find that the semimetal-insulator transition occurs at infinitesimally small interaction and thus a paramagnetic insulating state appears in a wide interaction range. A crossover behavior of electrons from itinerant to localized character found in the calculated single-particle excitation spectra and short-range spin correlation functions indicates that an effective spin model for the paramagnetic insulating phase is far from a simple Heisenberg model with a nearest-neighbor exchange interaction.
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.
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 Euclidean charge density-density correlator. In agreement with previous EDMFT studies, we find that at large strength of the electron-electron interaction, the plasmon dispersion develops two branches.
We consider the $(2+1)$-d $SU(2)$ quantum link model on the honeycomb lattice and show that it is equivalent to a quantum dimer model on the Kagome lattice. The model has crystalline confined phases with spontaneously broken translation invariance associated with pinwheel order, which is investigated with either a Metropolis or an efficient cluster algorithm. External half-integer non-Abelian charges (which transform non-trivially under the $mathbb{Z}(2)$ center of the $SU(2)$ gauge group) are confined to each other by fractionalized strings with a delocalized $mathbb{Z}(2)$ flux. The strands of the fractionalized flux strings are domain walls that separate distinct pinwheel phases. A second-order phase transition in the 3-d Ising universality class separates two confining phases; one with correlated pinwheel orientations, and the other with uncorrelated pinwheel orientations.