The Hubbard model on the honeycomb lattice undergoes a quantum phase transition from a semimetallic to a Mott insulating phase and from a disordered to an anti-ferromagnetically phase. We show that these transitions occur simultaneously and we calculate the critical coupling 𝑈 𝑐 = 3.835(14) as well as the critical exponents 𝜈 = 1.181(43) and 𝛽 = 0.898(37) which are expected to fall into the 𝑆𝑈 (2) Gross-Neveu universality class. For this we employ Hybrid Monte Carlo simulations, extrapolate the single particle gap and the spin structure factors to the thermodynamic and continuous time limits, and perform a data collapse fit. We also determine the zero temperature values of single particle gap and staggered magnetisation on both sides of the phase transition.
Tensor networks are a powerful tool to simulate a variety of different physical models, including those that suffer from the sign problem in Monte Carlo simulations. The Hubbard model on the honeycomb lattice with nonzero chemical potential is one such problem. Our method is based on projected entangled pair states using imaginary-time evolution. We demonstrate that it provides accurate estimators for the ground state of the model, including cases where Monte Carlo simulations fail miserably. In particular, it shows near to optimal, that is linear, scaling in lattice size. We also present an approach to directly simulate the subspace with an odd number of fermions. It allows to independently determine the ground state in both sectors. Without a chemical potential, this corresponds to half-filling and the lowest-energy state with one additional electron or hole. We identify several stability issues, such as degenerate ground states and large single-particle gaps, and provide possible fixes.
We present different methods to increase the performance of Hybrid Monte Carlo simulations of the Hubbard model in two-dimensions. Our simulations concentrate on a hexagonal lattice, though can be easily generalized to other lattices. It is found that best results can be achieved using a flexible GMRES solver for matrix inversions and the second order Omelyan integrator with Hasenbusch acceleration on different time scales for molecular dynamics. We demonstrate how an arbitrary number of Hasenbusch mass terms can be included into this geometry and find that the optimal speed depends weakly on the choice of the number of Hasenbusch masses and their values. As such, the tuning of these masses is amenable to automization and we present an algorithm for this tuning that is based on the knowledge of the dependence of solver time and forces on the Hasenbusch masses. We benchmark our algorithms to systems where direct numerical diagonalization is feasible and find excellent agreement. We also simulate systems with hexagonal lattice dimensions up to 102 × 102 and N t = 64. We find that the Hasenbusch algorithm leads to a speed up of more than an order of magnitude.
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