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arXiv:2110.15340 · International Symposium on Lattice Field Theory (LATTICE)

The Hubbard model with fermionic tensor networks

Manuel Schneider, Johann Ostmeyer, Karl Jansen, Thomas Luu, Carsten Urbach

Published May 16, 2022• 3 citations
arXivHTMLPDF

Abstract

Many electromagnetic properties of graphene can be described by the Hubbard model on a honeycomb lattice. However, this system suffers strongly from the sign problem if a chemical potential is included. Tensor network methods are not affected by this problem. We use the imaginary time evolution of a fermionic projected entangled pair state, which allows to simulate both parity sectors independently. Incorporating the fermionic nature on the level of the tensor network allows to fix the particle number to be either even or odd. This way we can access the states at half filling and with one additional electron. We calculate the energy and other observables of both states, which was not possible before with Monte Carlo methods.

DOI
10.22323/1.396.0377

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Many electromagnetic properties of graphene can be described by the Hubbard model on a honeycomb lattice. However, this system suffers strongly from the sign problem if a chemical potential is included. Tensor network methods are not affected by this problem. We use the imaginary time evolution of a fermionic projected entangled pair state, which allows to simulate both parity sectors independently. Incorporating the fermionic nature on the level of the tensor network allows to fix the particle number to be either even or odd. This way we can access the states at half filling and with one additional electron. We calculate the energy and other observables of both states, which was not possible before with Monte Carlo methods.
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.
The Hubbard model is an important tool to understand the electrical properties of various materials. More specifically, on the honeycomb lattice it is used to describe graphene predicting a quantum phase transition from a semimetal to a Mott insulating state. In this work two different numerical techniques are presented that have been employed for simulations of the Hubbard model: The Hybrid Monte Carlo algorithm on the one hand allowed us to simulate unprecedentedly large lattices, whereas Tensor Networks can be used to completely avoid the sign problem. Respective strengths and weaknesses of the methods are discussed.
Tensor Network States are ansaetze for the efficient description of quantum many-body systems. Their success for one dimensional problems, together with the fact that they do not suffer from the sign problem and can address the simulation of real time evolution, have turned them into one of the most promising techniques to study strongly correlated systems. In the realm of Lattice Gauge Theories they can offer an alternative to standard lattice Monte Carlo calculations, which are suited for static properties and regimes where no sign problem appears. The application of Tensor Networks to this kind of problems is a young but rapidly evolving research field. This paper reviews some of the recent progress in this area, and how, using one dimensional models as testbench, some fundamental milestones have been reached that may pave the way to more ambitious goals.
We demonstrate the use of finite-size fermionic projected entangled pair states, in conjunction with variational Monte Carlo, to perform accurate simulations of the ground state of the 2D Hubbard model. Using bond dimensions of up to D=28, we show that we can surpass state-of-the-art density matrix renormalization group energies that use up to m=32 000 SU(2) multiplets on eight-leg ladders. We further apply our methodology to 10×16, 12×16, and 16×16 lattices at 1/8 hole doping and observe the dimensional crossover between stripe orientations. Our Letter shows the power of finite-size fermionic tensor networks to resolve the physics of the 2D Hubbard model and related problems.
Tensor network states, and in particular projected entangled pair states (PEPS) have been a strong ansatz for the variational study of complicated quantum many-body systems, thanks to their built-in entanglement entropy area law. In this work, we use a special kind of PEPS---gauged Gaussian fermionic PEPS (GGFPEPS)---to find the ground state of 2+12+12+1 dimensional pure Z2{\mathbb{Z}}_{2}Z2​ lattice gauge theories for a wide range of coupling constants. We do so by combining PEPS methods with Monte-Carlo computations, allowing for efficient contraction of the PEPS and computation of correlation functions. Previously, such numerical computations involved the calculation of the Pfaffian of a matrix scaling with the system size, forming a severe bottleneck; in this work we show how to overcome this problem. This paves the way for applying the method we propose and benchmark here to other gauge groups, higher dimensions, and models with fermionic matter, in an efficient, sign-problem-free way.
The Hubbard and extended Hubbard models on the honeycomb lattice can be seen as prototype models of a single-layer graphene placed in a high dielectric constant environment that screens the Coulomb interaction. Taking advantage of the absence of a sign problem at half-filling, we study this problem with clusters up to 96 sites with the determinant quantum Monte Carlo method as an impurity solver for the dynamical cluster approximation at finite temperatures. After determining the stability of the semimetallic phase to interaction-induced spin-density wave (SDW), charge-density wave (CDW), and Mott insulating phases, we study the single-particle dynamics of the Dirac fermions. We show that when spontaneous symmetry breaking is avoided, the semimetallic phase is a stable Fermi liquid in the presence of repulsive interactions and that Kondo screening dominates the low temperature regime, even though there is a $\ensuremath{\rho}(\ensuremath{\omega})=|\ensuremath{\omega}|$ type local density of states. We also investigate the impact of the correlation effects on the renormalization of the Fermi velocity vF{v}_{F}vF​. We find that vF{v}_{F}vF​ is not renormalized when only on-site repulsion UUU is present, but that near-neighbor repulsion VVV does renormalize vF{v}_{F}vF​. This may explain the variations between different measurements of vF{v}_{F}vF​ in graphene.