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Register a new userCompeting order in the fermionic Hubbard model on the hexagonal graphene lattice
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We study the phase diagram of the fermionic Hubbard model on the hexagonal lattice in the space of on-site and nearest neighbor couplings with Hybrid-Monte-Carlo simulations. With pure on-site repulsion this allows to determine the critical coupling strength for spin-density wave formation with the standard approach of introducing a small mass term, explicitly breaking the sublattice symmetry. The analogous mass term for charge-density wave formation above a critical nearest-neighbor repulsion, on the other hand, would introduce a fermion sign problem. The competition between the two and the phase diagram in the space of the two coouplings can however be studied in simulations without explicit sublattice symmetry breaking. Our results compare qualitatively well with the Hartree-Fock phase diagram. We furthermore demonstrate how spin-symmetry breaking by the Euclidean time discretization can be avoided also, when using an improved fermion action based on an exponetial transfer matrix with exact sublattice symmetry.
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Using first-principle Hybrid-Monte-Carlo (HMC) simulations, we carry out an unbiased study of the competition between spin-density wave (SDW) and charge-density wave (CDW) order in the extended Hubbard model on the two dimensional hexagonal lattice at half filling. We determine the phase diagram in the space of on-site and nearest-neighbor couplings $U$ and $V$ in the region $V<U/3$, which can be simulated without a fermion sign problem, and find that a transition from semimetal to a SDW phase occurs at sufficiently large $U$ for basically all $V$. Tracing the corresponding phase boundary from $V=0$ to the $V=U/3$ line, we find evidence for critical scaling in the Gross-Neveu universality class for the entire boundary. With rather high confidence we rule out the existence of the CDW ordered phase anywhere in the range of parameters considered. We also discuss several improvements of the HMC algorithm which are crucial to reach these conclusions, in particular the improved fermion action with exact sublattice symmetry and the complexification of the Hubbard-Stratonovich field to ensure the ergodicity of the algorithm.
We present a method for direct hybrid Monte Carlo simulation of graphene on the hexagonal lattice. We compare the results of the simulation with exact results for a unit hexagonal cell system, where the Hamiltonian can be solved analytically.
We apply the Linear Logarithmic Relaxation (LLR) method, which generalizes the Wang-Landau algorithm to quantum systems with continuous degrees of freedom, to the fermionic Hubbard model with repulsive interactions on the honeycomb lattice. We compute the generalized density of states of the average Hubbard field and divise two reconstruction schemes to extract physical observables from this result. By computing the particle density as a function of chemical potential we assess the utility of LLR in dealing with the sign problem of this model, which arises away from half filling. We show that the relative advantage over brute-force reweighting grows as the interaction strength is increased and discuss possible future improvements.
We investigate the Hubbard model on a two-dimensional square lattice by the perturbation expansion to the fourth order in the on-site Coulomb repulsion U. Numerically calculating all diagrams up to the fourth order in self-energy, we examine the convergence of perturbation series in the lattice system. We indicate that the coefficient of each order term rapidly decreases as in the impurity Anderson model for T > 0.1t in the half-filled case, but it holds in the doped case even at lower temperatures. Thus, we can expect that the convergence of perturbation expansion in U is very good in a wide parameter region also in the lattice system, except for T < 0.1t in the half-filled case. We next calculate the density of states in the fourth-order perturbation. In the half-filled case, the shape in a moderate correlation regime is quite different from the three peak structure in the second-order perturbation. Remarkable upper and lower Hubbard bands locate at w = +(-)U/2, and a pseudogap appears at the Fermi level w=0. This is considered as the precursor of the Mott-Hubbard antiferromagnetic structure. In the doped case, quasiparticles with very heavy mass are formed at the Fermi level. Thus, we conclude that the fourth-order perturbation theory overall well explain the asymptotic behaviors in a strong correlation regime.
We study the attractive fermionic Hubbard model on a honeycomb lattice using determinantal quantum Monte Carlo simulations. By increasing the interaction strength U (relative to the hopping parameter t) at half-filling and zero temperature, the system undergoes a quantum phase transition at 5.0 < U_c/t < 5.1 from a semi-metal to a phase displaying simultaneously superfluid behavior and density order. Doping away from half-filling, and increasing the interaction strength at finite but low temperature T, the system always appears to be a superfluid exhibiting a crossover between a BCS and a molecular regime. These different regimes are analyzed by studying the spectral function. The formation of pairs and the emergence of phase coherence throughout the sample are studied as U is increased and T is lowered.
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