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Resolving Fermi surfaces with tensor networks

Quinten Mortier, Norbert Schuch, Frank Verstraete, Jutho Haegeman

Published Aug 25, 2020• 1 citation
OpenAlex

Abstract

We show that Projected Entangled-Pair States (PEPS) are able to describe critical, fermionic systems exhibiting both 1d and 0d Fermi surfaces on a 2d lattice. In the thermodynamic limit, the energy precision as a function of the bond dimension improves as a power law, illustrating that an arbitrary precision can be obtained by increasing the bond dimension in a controlled manner. We also identify a non-trivial obstruction in the Gaussian and fermionic variant of PEPS, rooted in its topology and restricting its efficient applicability to models with a matching parity configuration.

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We show that Projected Entangled-Pair States (PEPS) are able to describe critical, fermionic systems exhibiting both 1d and 0d Fermi surfaces on a 2d lattice. In the thermodynamic limit, the energy precision as a function of the bond dimension improves as a power law, illustrating that an arbitrary precision can be obtained by increasing the bond dimension in a controlled manner. We also identify a non-trivial obstruction in the Gaussian and fermionic variant of PEPS, rooted in its topology and restricting its efficient applicability to models with a matching parity configuration.
We demonstrate that projected entangled-pair states are able to represent ground states of critical, fermionic systems exhibiting both 1d and 0d Fermi surfaces on a 2D lattice with an efficient scaling of the bond dimension. Extrapolating finite size results for the Gaussian restriction of fermionic projected entangled-pair states to the thermodynamic limit, the energy precision as a function of the bond dimension is found to improve as a power law, illustrating that an arbitrary precision can be obtained by increasing the bond dimension in a controlled manner. In this process, boundary conditions and system sizes have to be chosen carefully so that nonanalyticities of the Ansatz, rooted in its nontrivial topology, are avoided.
The minimally entangled typical thermal states (METTS) are an ensemble of pure states, equivalent to the Gibbs thermal state, designed with an efficient tensor network representation in mind. In this article, we use the projected entangled pair states (PEPS) as their representation on a two-dimensional (2D) lattice. Unlike matrix product states (MPS), which for 2D systems are limited by an exponential computational barrier in the lattice size, PEPS provides a more tractable approach. To substantiate the prowess of PEPS in modeling METTS (dubbed PEPS-METTS), we benchmark it against the purification method in the context of the 2D quantum Ising model at its critical temperature. Our analysis reveals that PEPS-METTS achieves accurate results with significantly lower bond dimensions. We further corroborate this finding in the 2D Fermi-Hubbard model. At a technical level, we introduce an efficient zipper method to obtain PEPS boundary MPS needed to compute expectation values and perform sampling. The imaginary time evolution is done with the neighborhood tensor update.
Fermionic Gaussian projected entangled pair states (PEPS) are fermionic tensor network state constructions that describe the physics of ground states of noninteracting fermionic Hamiltonians. As noninteracting states, one may study and analyze them very efficiently, in both analytical and numerical means. Recently it was shown that they may be used as the starting point---after applying so-called PEPS gauging mechanisms---for variational study of nontrivial, interacting states of lattice gauge theories. This is done using sign-problem free variational Monte Carlo techniques. In this work we show how to generalize such states from two to three spatial dimensions, focusing on spin representations and requirements of lattice rotations. We present constructions that are crucial for the application of the above-mentioned variational Monte Carlo techniques for studying nonperturbative lattice gauge theory physics, with fermionic matter, in 2+1D2+1\mathrm{D}2+1D and 3+1D3+1\mathrm{D}3+1D models. Thus, the constructions presented here are crucial for the study of nontrivial lattice gauge theories with fermionic tensor network states.
We introduce a family of states, the fermionic projected entangled pair states (fPEPS), which describe fermionic systems on lattices in arbitrary spatial dimensions. It constitutes the natural extension of another family of states, the PEPS, which efficiently approximate ground and thermal states of spin systems with short-range interactions. We give an explicit mapping between those families, which allows us to extend previous simulation methods to fermionic systems. We also show that fPEPS naturally arise as exact ground states of certain fermionic Hamiltonians. We give an example of such a Hamiltonian, exhibiting criticality while obeying an area law.
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.
We develop a formalism for constructing particle-number-conserving Gaussian fermionic projected entangled pair states [U(1)-GfPEPSs] and show that these states can describe ground states of band insulators and gapless fermions with band touching points. When using them as variational Ans\"atze for two Dirac fermion systems (the $\ensuremath{\pi}$-flux model on the square lattice and the $[0,\ensuremath{\pi}]$-flux model on the kagome lattice), we find that the U(1)-GfPEPSs, even with a relatively small bond dimension, can accurately approximate the Dirac Fermi sea ground states. By applying Gutzwiller projectors on top of these U(1)-GfPEPSs, we obtain a PEPS representation of U(1)-Dirac spin liquid states for spin-1/2 systems. With state-of-the-art tensor network numerics, the critical exponent in the spin-spin correlation function of the Gutzwiller-projected $\ensuremath{\pi}$-flux state is estimated to be $\ensuremath{\eta}\ensuremath{\approx}1.7$.